Geometry & MOs

Info

ID:	248220
PubChem CID:	103079785
Reduced:	O2N5C12H21 (1)
Stoich.:	A2B5C12D21 (1)
Weight, g/mol:	222.086524
ΔH_f, kcal/mol:	13.85
Dipole, Da:	6.37
IP(EA), eV:	-8.76(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-4-nitro-N-(1H-pyrazol-5-ylmethyl)pyrazol-3-amine

Drug info:

PubChemData

Smile

CC1CCN(CC1)CCNC2=NN(C=C2[N+](=O)[O-])C

DOS

IR

Vibrations