Geometry & MOs

Info

ID:	125007
PubChem CID:	50907241
Reduced:	INO2C8H8 (1)
Stoich.:	ABC2D8E8 (1)
Weight, g/mol:	270.044757
ΔH_f, kcal/mol:	-40.4
Dipole, Da:	5.19
IP(EA), eV:	-9.08(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(E)-3-(4-chlorophenyl)-3-oxoprop-1-enyl]benzaldehyde

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)I)NC=O

DOS

IR

Vibrations