Geometry & MOs

Info

ID:	190349
PubChem CID:	77990435
Reduced:	O5C30H46 (1)
Stoich.:	A5B30C46 (1)
Weight, g/mol:	488.350175
ΔH_f, kcal/mol:	-234.74
Dipole, Da:	4.3
IP(EA), eV:	-8.4(0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5,7,10-trihydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid

Drug info:

PubChemData

Smile

CC1(C2CCC3(C(C2(CCC1=O)C)CC=C4C3(CC(C5(C4CC(CC5)(C)CO)C(=O)O)O)C)C)C

DOS

IR

Vibrations