Geometry & MOs

Info

ID:	318183
PubChem CID:	126649443
Reduced:	NO4H9C16 (1)
Stoich.:	AB4C9D16 (1)
Weight, g/mol:	318.07712
ΔH_f, kcal/mol:	-47.07
Dipole, Da:	6.44
IP(EA), eV:	-9.49(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(4-chlorophenyl)ethyl]-N-methyl-4-nitrobenzamide

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C(=O)OC2=C3C(=CC(=C2)C#N)C=CO3)O

DOS

IR

Vibrations