Geometry & MOs

Info

ID:	221327
PubChem CID:	85267696
Reduced:	NOSH15C27 (1)
Stoich.:	ABCD15E27 (1)
Weight, g/mol:	401.32938
ΔH_f, kcal/mol:	102.58
Dipole, Da:	6.64
IP(EA), eV:	-8.74(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-hydroxy-4,8,10,14-tetramethyl-2-piperidin-1-yl-2,3,4,5,6,7,9,11,12,13,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-one

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=CC3=C2SC4=C3C5C6=CC=CC=C6C7=CC=CC=C7C5=NC4=O

DOS

IR

Vibrations