Geometry & MOs

Info

ID:	131450
PubChem CID:	51208095
Reduced:	NO2C11H12 (2)
Stoich.:	AB2C11D12 (2)
Weight, g/mol:	381.14887
ΔH_f, kcal/mol:	-117.08
Dipole, Da:	2.87
IP(EA), eV:	-8.7(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(1,3-benzodioxol-5-yl)ethyl]-1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CCC1=CC=CC=C1N2CC(CC2=O)C(=O)NCCC3=CC4=C(C=C3)OCO4

DOS

IR

Vibrations