Geometry & MOs

Info

ID:	407089
PubChem CID:	135079312
Reduced:	NO3C20H21 (1)
Stoich.:	AB3C20D21 (1)
Weight, g/mol:	286.076057
ΔH_f, kcal/mol:	-12.34
Dipole, Da:	3.01
IP(EA), eV:	-9.16(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-3-chloro-3-(4-methoxyphenyl)-2-(4-methylphenyl)prop-2-enal

Drug info:

PubChemData

Smile

CCOC(=O)C1=CC(=C(N1C)C=C)C(C#C)OCC2=CC=CC=C2

DOS

IR

Vibrations