Geometry & MOs

Info

ID:	57279
PubChem CID:	22395581
Reduced:	ClNO2C8H16 (1)
Stoich.:	ABC2D8E16 (1)
Weight, g/mol:	306.125594
ΔH_f, kcal/mol:	-87.94
Dipole, Da:	2.67
IP(EA), eV:	-8.83(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6-hydroxy-6-phenylmethoxycyclohexa-2,4-dien-1-yl)-phenylmethanone

Drug info:

PubChemData

Smile

CN(C)CCOC(=O)C=C.CCl

DOS

IR

Vibrations