Geometry & MOs

Info

ID:	197482
PubChem CID:	78969783
Reduced:	O3N5C13H15 (1)
Stoich.:	A3B5C13D15 (1)
Weight, g/mol:	292.117155
ΔH_f, kcal/mol:	10.5
Dipole, Da:	6.14
IP(EA), eV:	-9.16(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[2-(cyclopropylamino)-2-oxoethyl]amino]-N-methyl-3-nitrobenzamide

Drug info:

PubChemData

Smile

CNC(=O)C1=CC(=C(C=C1)NCC2=CN(N=C2)C)[N+](=O)[O-]

DOS

IR

Vibrations