Geometry & MOs

Info

ID:	190347
PubChem CID:	77990177
Reduced:	NO4C17H29 (1)
Stoich.:	AB4C17D29 (1)
Weight, g/mol:	488.350175
ΔH_f, kcal/mol:	-175.2
Dipole, Da:	3.74
IP(EA), eV:	-9.31(0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5,10-dihydroxy-2-(hydroxymethyl)-2,6a,6b,9,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid

Drug info:

PubChemData

Smile

CC1C=C(COCCN(CCC=CC(C1O)OC)C(=O)C)C

DOS

IR

Vibrations