Geometry & MOs

Info

ID:	357003
PubChem CID:	127293069
Reduced:	FON4C22H29 (1)
Stoich.:	ABC4D22E29 (1)
Weight, g/mol:	393.177645
ΔH_f, kcal/mol:	-53.09
Dipole, Da:	2.34
IP(EA), eV:	-8.78(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-cyclopentylpyrrolidin-3-yl)-1-[2-(trifluoromethyl)phenyl]triazole-4-carboxamide

Drug info:

PubChemData

Smile

CC(C)C1=C(C=NN1C2=CC=C(C=C2)F)C(=O)NC3CCN(C3)C4CCCC4

DOS

IR

Vibrations