Geometry & MOs

Info

ID:	383827
PubChem CID:	134975778
Reduced:	OC14H20 (1)
Stoich.:	AB14C20 (1)
Weight, g/mol:	176.120115
ΔH_f, kcal/mol:	11.1
Dipole, Da:	5.59
IP(EA), eV:	-8.54(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(9aR)-9a-methyl-2,7,8,9-tetrahydro-1H-benzo[7]annulen-3-one

Drug info:

PubChemData

Smile

C[C@@]12CCC(=O)C=C1C=CCCC2(C)C

DOS

IR

Vibrations