Geometry & MOs

Info

ID:	208095
PubChem CID:	80495179
Reduced:	NO3C10H19 (1)
Stoich.:	AB3C10D19 (1)
Weight, g/mol:	269.102508
ΔH_f, kcal/mol:	-133.85
Dipole, Da:	3.21
IP(EA), eV:	-9.44(0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(4-aminophenyl)pyrazol-3-yl]-2H-triazole-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)NC1(COC1)C(=O)OCC

DOS

IR

Vibrations