Geometry & MOs

Info

ID:	251140
PubChem CID:	103101722
Reduced:	ClO2N3C14H14 (1)
Stoich.:	AB2C3D14E14 (1)
Weight, g/mol:	319.012661
ΔH_f, kcal/mol:	-44.41
Dipole, Da:	3.99
IP(EA), eV:	-9.73(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-amino-2-oxoethyl)-3,4-dichloro-N-ethyl-5-nitrobenzamide

Drug info:

PubChemData

Smile

CCN(CC(=O)N)C(=O)C1=CC(=NC2=CC=CC=C21)Cl

DOS

IR

Vibrations