Geometry & MOs

Info

ID:

314432

PubChem CID:

126621797

Reduced:

NSH15C23 (1)

Stoich.:

ABC15D23 (1)

Weight, g/mol:

639.15616

ΔHf, kcal/mol:

89.49

Dipole, Da:

2.5

IP(EA), eV:

 -8.1(-1.01)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

18-[3-(4-bromophenyl)phenyl]-9,9-dimethyl-22-phenyl-22-azahexacyclo[11.11.0.02,10.03,8.015,23.016,21]tetracosa-1(24),2(10),3,5,7,11,13,15(23),16(21),17,19-undecaene

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)NC3=C2C=C4C=CC5=C(C4=C3)C6=CC=CC=C6S5

DOS

IR

Vibrations