Geometry & MOs

Info

ID:	248212
PubChem CID:	103079747
Reduced:	O3N4C13H16 (1)
Stoich.:	A3B4C13D16 (1)
Weight, g/mol:	236.102174
ΔH_f, kcal/mol:	14.7
Dipole, Da:	5.02
IP(EA), eV:	-8.85(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-4-nitropyrazol-3-amine

Drug info:

PubChemData

Smile

CN1C=C(C(=N1)NCC2=CC(=CC=C2)COC)[N+](=O)[O-]

DOS

IR

Vibrations