Geometry & MOs

Info

ID:	181606
PubChem CID:	76765869
Reduced:	NO3C36H45 (1)
Stoich.:	AB3C36D45 (1)
Weight, g/mol:	462.313395
ΔH_f, kcal/mol:	-92.13
Dipole, Da:	7.19
IP(EA), eV:	-8.57(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-hydroxy-4,6a,6b,8a,11,14a-hexamethyl-11-propanoyl-7,8,9,10,12,12a,13,14-octahydropicen-2-one

Drug info:

PubChemData

Smile

CC1=C(C(=O)C=C2C1=CC=C3C2(CCC4(C3(CCC5(C4CC(CC5)(C)C(=O)CCC6=CN=CC=C6)C)C)C)C)O

DOS

IR

Vibrations