Geometry & MOs

Info

ID:	404854
PubChem CID:	135071518
Reduced:	BrNO2H24C27 (1)
Stoich.:	ABC2D24E27 (1)
Weight, g/mol:	356.108026
ΔH_f, kcal/mol:	56.72
Dipole, Da:	3.07
IP(EA), eV:	-8.63(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-3-[4-chloro-2-[(E)-2-phenylethenyl]anilino]-3-phenylprop-2-enenitrile

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CN(CC#C)C(=O)C2(CC2(C3=CC=CC=C3)C4=CC=CC=C4)Br

DOS

IR

Vibrations