Geometry & MOs

Info

ID:	248233
PubChem CID:	103079876
Reduced:	O3N4C13H16 (1)
Stoich.:	A3B4C13D16 (1)
Weight, g/mol:	277.081104
ΔH_f, kcal/mol:	13.57
Dipole, Da:	5.62
IP(EA), eV:	-8.92(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-4-nitro-N-[(3-nitrophenyl)methyl]pyrazol-3-amine

Drug info:

PubChemData

Smile

CN1C=C(C(=N1)NCCCOC2=CC=CC=C2)[N+](=O)[O-]

DOS

IR

Vibrations