Geometry & MOs

Info

ID:	276854
PubChem CID:	103825468
Reduced:	N4O4C13H18 (1)
Stoich.:	A4B4C13D18 (1)
Weight, g/mol:	224.127326
ΔH_f, kcal/mol:	-93.88
Dipole, Da:	7.49
IP(EA), eV:	-9.35(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]-1H-pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations