Geometry & MOs

Info

ID:	248203
PubChem CID:	103079661
Reduced:	N4O4C7H10 (1)
Stoich.:	A4B4C7D10 (1)
Weight, g/mol:	210.111676
ΔH_f, kcal/mol:	-49.27
Dipole, Da:	7.86
IP(EA), eV:	-9.2(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations