Geometry & MOs

Info

ID:	205417
PubChem CID:	80096949
Reduced:	O2C17H18 (1)
Stoich.:	A2B17C18 (1)
Weight, g/mol:	238.09938
ΔH_f, kcal/mol:	-61.04
Dipole, Da:	2.72
IP(EA), eV:	-8.89(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-(4-hydroxyphenyl)ethanone

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)CC(=O)CC2=CC(=CC=C2)O)C

DOS

IR

Vibrations