Geometry & MOs

Info

ID:	289560
PubChem CID:	104359491
Reduced:	BrClN4C10H10 (1)
Stoich.:	ABC4D10E10 (1)
Weight, g/mol:	331.97159
ΔH_f, kcal/mol:	70.69
Dipole, Da:	4.92
IP(EA), eV:	-9.63(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-amino-3-(3-bromo-2-chlorophenyl)-2-phenylprop-2-enenitrile

Drug info:

PubChemData

Smile

CN1C(=NN=C1C2=C(C(=CC=C2)Br)Cl)CN

DOS

IR

Vibrations