Geometry & MOs

Info

ID:	398830
PubChem CID:	135035649
Reduced:	N2C21H28 (1)
Stoich.:	A2B21C28 (1)
Weight, g/mol:	505.286195
ΔH_f, kcal/mol:	35.1
Dipole, Da:	2.8
IP(EA), eV:	-8.67(0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[17,18-dimethoxy-4-(4-methylphenyl)sulfonyl-4-azabicyclo[13.2.2]nonadeca-16,18-dien-15-yl]methanol

Drug info:

PubChemData

Smile

CC1=C(N=CC=C1)N=C(C2CC3CCC2C3)C4CC5CCC4C5

DOS

IR

Vibrations