Geometry & MOs

Info

ID:	190855
PubChem CID:	78069533
Reduced:	O6C24H35 (1)
Stoich.:	A6B24C35 (1)
Weight, g/mol:	420.251189
ΔH_f, kcal/mol:	-240.74
Dipole, Da:	4.47
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.779881
Charge, e:	0

Chem-info

IUPAC name:

5-[5-(3-carboxypropanoyloxy)-3-methylpent-3-enyl]-1,4a-dimethyl-6-methylidene-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1-carboxylic acid

Drug info:

PubChemData

Smile

CC(=CCOC(=O)CCC(=O)[O-])CCC1C(=C)CCC2C1(CCCC2(C)C(=O)O)C

DOS

IR

Vibrations