Geometry & MOs

Info

ID:	41839
PubChem CID:	8147228
Reduced:	OSN3C24H25 (1)
Stoich.:	ABC3D24E25 (1)
Weight, g/mol:	331.016684
ΔH_f, kcal/mol:	35.62
Dipole, Da:	6.27
IP(EA), eV:	-9.13(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(3,4-dichlorophenyl)-2-(4-methoxybenzoyl)prop-2-enenitrile

Drug info:

PubChemData

Smile

C[C@H](C1=NC(=O)C2=CC=CC=C2N1)N[C@H](C3=CC=C(C=C3)C(C)C)C4=CC=CS4

DOS

IR

Vibrations