Geometry & MOs

Info

ID:	401429
PubChem CID:	135051239
Reduced:	ClNO2C16H16 (1)
Stoich.:	ABC2D16E16 (1)
Weight, g/mol:	356.01604
ΔH_f, kcal/mol:	-39.15
Dipole, Da:	2.23
IP(EA), eV:	-9.48(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-2-(5-bromo-2-nitrophenyl)-5-phenylpent-4-enenitrile

Drug info:

PubChemData

Smile

COCC(=O)N(CC1=CC=CC=C1)C2=CC=CC=C2Cl

DOS

IR

Vibrations