Geometry & MOs

Info

ID:	290475
PubChem CID:	104616810
Reduced:	SO3N4C12H16 (1)
Stoich.:	AB3C4D12E16 (1)
Weight, g/mol:	272.163711
ΔH_f, kcal/mol:	-67.79
Dipole, Da:	6.46
IP(EA), eV:	-8.34(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-aminoethyl)-N-(5-propyl-1H-pyrazol-3-yl)benzamide

Drug info:

PubChemData

Smile

CCC1=CC(=NN1)NS(=O)(=O)C2=C(C=C(C=C2)N)OC

DOS

IR

Vibrations