Geometry & MOs

Info

ID:	405868
PubChem CID:	135075747
Reduced:	NO4C12H13 (1)
Stoich.:	AB4C12D13 (1)
Weight, g/mol:	212.120115
ΔH_f, kcal/mol:	-148.67
Dipole, Da:	1.66
IP(EA), eV:	-9.36(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-1-cyclohexa-2,5-dien-1-yl-1-phenylpropan-2-one

Drug info:

PubChemData

Smile

C1CN(C(=O)CC1O)C(=O)OC2=CC=CC=C2

DOS

IR

Vibrations