Geometry & MOs

Info

ID:	357017
PubChem CID:	127293083
Reduced:	FON4C21H27 (1)
Stoich.:	ABC4D21E27 (1)
Weight, g/mol:	357.196489
ΔH_f, kcal/mol:	-47.72
Dipole, Da:	1.23
IP(EA), eV:	-8.81(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-cyclopentylpyrrolidin-3-yl)-1-(4-fluorophenyl)-5-methyl-1,2,4-triazole-3-carboxamide

Drug info:

PubChemData

Smile

CCC1=C(C=NN1C2=CC=C(C=C2)F)C(=O)NC3CCN(C3)C4CCCC4

DOS

IR

Vibrations