Geometry & MOs

Info

ID:	24995
PubChem CID:	616450
Reduced:	CH (18)
Stoich.:	AB (18)
Weight, g/mol:	234.140851
ΔH_f, kcal/mol:	17.93
Dipole, Da:	1.07
IP(EA), eV:	-8.7(0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,2,3,4,7,12-hexahydrobenzo[a]anthracene

Drug info:

PubChemData

Smile

C1CCC2=C(C1)C=CC3=C2CC4=CC=CC=C4C3

DOS

IR

Vibrations