Geometry & MOs

Info

ID:	179017
PubChem CID:	76420515
Reduced:	NO2C29H41 (1)
Stoich.:	AB2C29D41 (1)
Weight, g/mol:	494.303224
ΔH_f, kcal/mol:	-85.26
Dipole, Da:	6.75
IP(EA), eV:	-8.51(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(10-hydroxy-2,4a,6a,6a,9,14a-hexamethyl-11-oxo-1,3,4,5,6,13,14,14b-octahydropicen-2-yl)methyl methyl carbonate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations