Geometry & MOs

Info

ID:	20974
PubChem CID:	586519
Reduced:	O2C21H36 (1)
Stoich.:	A2B21C36 (1)
Weight, g/mol:	320.27153
ΔH_f, kcal/mol:	-146.11
Dipole, Da:	0.9
IP(EA), eV:	-9.42(0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-(5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl)-3-methylpentanoate

Drug info:

PubChemData

Smile

CC(CCC1C(=C)CCC2C1(CCCC2(C)C)C)CC(=O)OC

DOS

IR

Vibrations