Geometry & MOs

Info

ID:

314397

PubChem CID:

126621748

Reduced:

NOH19C29 (1)

Stoich.:

ABC19D29 (1)

Weight, g/mol:

804.277678

ΔHf, kcal/mol:

87.95

Dipole, Da:

1.6

IP(EA), eV:

-7.97(-0.92)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

22-[9,9-dimethyl-7-(3-oxa-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16,18,20-undecaen-22-yl)fluoren-2-yl]-3-oxa-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16,18,20-undecaene

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N2C3=CC=CC=C3C4=C2C=C5C(=C4)C=CC6=C5OC7=CC=CC=C67

DOS

IR

Vibrations