Geometry & MOs

Info

ID:	248257
PubChem CID:	103080070
Reduced:	O3N5C10H17 (1)
Stoich.:	A3B5C10D17 (1)
Weight, g/mol:	269.148789
ΔH_f, kcal/mol:	-31.69
Dipole, Da:	5.29
IP(EA), eV:	-9.35(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-tert-butyl-2-[(1-methyl-4-nitropyrazol-3-yl)amino]propanamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations