Geometry & MOs

Info

ID:	217071
PubChem CID:	85087201
Reduced:	NSO2C19H23 (1)
Stoich.:	ABC2D19E23 (1)
Weight, g/mol:	329.235479
ΔH_f, kcal/mol:	-59.54
Dipole, Da:	2.86
IP(EA), eV:	-9.13(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

12-hydroxy-16,17-dimethyl-17-azapentacyclo[10.7.1.02,11.03,8.013,18]icos-10-en-9-one

Drug info:

PubChemData

Smile

CC1CN(CCC1(C)C2=CC(=CC=C2)O)C(=O)CC3=CC=CS3

DOS

IR

Vibrations