Geometry & MOs

Info

ID:

420195

PubChem CID:

135111786

Reduced:

ON4C22H24 (1)

Stoich.:

AB4C22D24 (1)

Weight, g/mol:

507.32094

ΔHf, kcal/mol:

66.66

Dipole, Da:

2.49

IP(EA), eV:

 -9.04(-0.7)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1R,17R,18S)-12-[[6-(dimethylamino)pyridin-3-yl]methyl]-5-methoxy-7-oxa-12,15,22-triazatetracyclo[15.5.1.12,6.018,22]tetracosa-2(24),3,5-trien-14-one

Drug info:

PubChemData

Smile

CC1=NOC(=C1)CN2CCCC3(C2)CCC4=CN=C(N=C34)C5=CC=CC=C5

DOS

IR

Vibrations