Geometry & MOs

Info

ID:	186221
PubChem CID:	77405453
Reduced:	ClNC25H34 (1)
Stoich.:	ABC25D34 (1)
Weight, g/mol:	421.298079
ΔH_f, kcal/mol:	-6.67
Dipole, Da:	1.91
IP(EA), eV:	-9.47(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2,4,10,13-tetramethylspiro[1,2,4,5,6,7,8,9,11,12,14,15-dodecahydrocyclopenta[a]phenanthrene-3,2'-1,3-dioxolane]-17-yl)pyridine

Drug info:

PubChemData

Smile

CC12CCCCCC1CCC3C2CCC4(C3CC=C4C5=C(C=CN=C5)Cl)C

DOS

IR

Vibrations