Geometry & MOs

Info

ID:	248204
PubChem CID:	103079681
Reduced:	O2N4C9H14 (1)
Stoich.:	A2B4C9D14 (1)
Weight, g/mol:	238.142976
ΔH_f, kcal/mol:	30.77
Dipole, Da:	6.39
IP(EA), eV:	-8.87(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-N-(3-methylcyclohexyl)-4-nitropyrazol-3-amine

Drug info:

PubChemData

Smile

CN1C=C(C(=N1)NCC2CCC2)[N+](=O)[O-]

DOS

IR

Vibrations