Geometry & MOs

Info

ID:	181603
PubChem CID:	76765671
Reduced:	N2O6C21H24 (1)
Stoich.:	A2B6C21D24 (1)
Weight, g/mol:	490.344695
ΔH_f, kcal/mol:	-174.61
Dipole, Da:	6.17
IP(EA), eV:	-8.73(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC(=O)COCC(C)COC1=NC=NC2=C1C(=CO2)C3=CC=C(C=C3)OC

DOS

IR

Vibrations