Geometry & MOs

Info

ID:	289963
PubChem CID:	104392018
Reduced:	ClO2N3C12H14 (1)
Stoich.:	AB2C3D12E14 (1)
Weight, g/mol:	311.067284
ΔH_f, kcal/mol:	-48.41
Dipole, Da:	3.38
IP(EA), eV:	-9.66(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-chloro-N-[1-(cyclopropylamino)-1-oxopropan-2-yl]-4-nitrobenzamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1CC1)NC(=O)C2=CN=C(C=C2)Cl

DOS

IR

Vibrations