Geometry & MOs

Info

ID:	413456
PubChem CID:	135086405
Reduced:	NOC20H25 (1)
Stoich.:	ABC20D25 (1)
Weight, g/mol:	264.055322
ΔH_f, kcal/mol:	-16.92
Dipole, Da:	2.89
IP(EA), eV:	-9.17(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (4Z,6E)-4-chloro-3-oxo-7-phenylhepta-4,6-dienoate

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC(=CC(=C1)C(=O)C2=CC=CC=N2)C(C)(C)C

DOS

IR

Vibrations