Geometry & MOs

Info

ID:	26659
PubChem CID:	794485
Reduced:	NO4H15C16 (1)
Stoich.:	AB4C15D16 (1)
Weight, g/mol:	285.030504
ΔH_f, kcal/mol:	-51.94
Dipole, Da:	10.13
IP(EA), eV:	-9.65(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(2-chloro-5-nitrophenyl)methylideneamino]benzonitrile

Drug info:

PubChemData

Smile

CC1(CC2=C(C(=O)C1)C(=CO2)C3=CC=C(C=C3)[N+](=O)[O-])C

DOS

IR

Vibrations