Geometry & MOs

Info

ID:	186607
PubChem CID:	77452856
Reduced:	NO3C17H19 (1)
Stoich.:	AB3C17D19 (1)
Weight, g/mol:	519.19981
ΔH_f, kcal/mol:	-66.52
Dipole, Da:	9.4
IP(EA), eV:	-9.89(-2.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-iodo-1,4a,7-trimethyl-N-(1-phenylpropan-2-yl)-3,4,6,8,8a,9,10,10a-octahydro-2H-phenanthrene-1-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)C1C=C(C=C2C1=NC(=CC2=O)C(=O)O)C3CC3

DOS

IR

Vibrations