Geometry & MOs

Info

ID:	20756
PubChem CID:	585538
Reduced:	OC10H16 (2)
Stoich.:	AB10C16 (2)
Weight, g/mol:	304.24023
ΔH_f, kcal/mol:	-113.67
Dipole, Da:	3.69
IP(EA), eV:	-9.52(0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3-hydroxy-3-methylpent-4-enyl)-4a,8,8-trimethyl-3-methylidene-5,6,7,8a-tetrahydro-4H-naphthalen-1-one

Drug info:

PubChemData

Smile

CC1(CCCC2(C1C(=O)CC(=C)C2CCC(C)(C=C)O)C)C

DOS

IR

Vibrations