Geometry & MOs

Info

ID:	248255
PubChem CID:	103080057
Reduced:	O3N6C9H16 (1)
Stoich.:	A3B6C9D16 (1)
Weight, g/mol:	280.189926
ΔH_f, kcal/mol:	-13.1
Dipole, Da:	3.25
IP(EA), eV:	-9.06(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-4-nitro-N-(3,3,5,5-tetramethylcyclohexyl)pyrazol-3-amine

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations