Geometry & MOs

Info

ID:	196068
PubChem CID:	78775946
Reduced:	ClON3H16C19 (1)
Stoich.:	ABC3D16E19 (1)
Weight, g/mol:	349.046548
ΔH_f, kcal/mol:	43.39
Dipole, Da:	3.69
IP(EA), eV:	-9.57(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(4-chlorophenyl)ethyl]-3,5-dinitrobenzamide

Drug info:

PubChemData

Smile

CC(C1=CC=C(C=C1)Cl)NC(=O)/C=C/C2=NC3=CC=CC=C3N=C2

DOS

IR

Vibrations