Geometry & MOs

Info

ID:	386725
PubChem CID:	134982699
Reduced:	ClNOC11H16 (1)
Stoich.:	ABCD11E16 (1)
Weight, g/mol:	372.136159
ΔH_f, kcal/mol:	-33.17
Dipole, Da:	2.49
IP(EA), eV:	-9.06(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-benzoyl-5,6-dimethyl-3-phenacyloxycyclohepta-2,4,6-trien-1-one

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC(C(=NC=C1)OC)Cl

DOS

IR

Vibrations