Geometry & MOs

Info

ID:	186226
PubChem CID:	77405577
Reduced:	NOC12H16 (2)
Stoich.:	ABC12D16 (2)
Weight, g/mol:	429.11648
ΔH_f, kcal/mol:	-72.94
Dipole, Da:	3.75
IP(EA), eV:	-8.71(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-hydroxy-15-iodo-2,16-dimethyl-8-azatetracyclo[9.7.0.02,8.012,16]octadec-14-en-7-one

Drug info:

PubChemData

Smile

CC(=O)OC1CCC2(C(C1)CCC3C2CCC4(C3=CC=C4N5C=CN=C5)C)C

DOS

IR

Vibrations