Geometry & MOs

Info

ID:	248246
PubChem CID:	103079998
Reduced:	O3N5C12H19 (1)
Stoich.:	A3B5C12D19 (1)
Weight, g/mol:	264.133474
ΔH_f, kcal/mol:	-10.23
Dipole, Da:	7.63
IP(EA), eV:	-8.76(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-4-nitro-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazol-3-amine

Drug info:

PubChemData

Smile

CN1C=C(C(=N1)NCC2CN3CCCC3CO2)[N+](=O)[O-]

DOS

IR

Vibrations