Geometry & MOs

Info

ID:	248258
PubChem CID:	103080072
Reduced:	O3N5C11H19 (1)
Stoich.:	A3B5C11D19 (1)
Weight, g/mol:	241.117489
ΔH_f, kcal/mol:	-41.36
Dipole, Da:	8.58
IP(EA), eV:	-9.1(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-3-[(1-methyl-4-nitropyrazol-3-yl)amino]propanamide

Drug info:

PubChemData

Smile

CC(C(=O)NC(C)(C)C)NC1=NN(C=C1[N+](=O)[O-])C

DOS

IR

Vibrations