Geometry & MOs

Info

ID:	357035
PubChem CID:	127293104
Reduced:	ON5C18H25 (1)
Stoich.:	AB5C18D25 (1)
Weight, g/mol:	353.221561
ΔH_f, kcal/mol:	1.16
Dipole, Da:	4.62
IP(EA), eV:	-9.01(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-cyclopentylpyrrolidin-3-yl)-5-methyl-1-(3-methylphenyl)triazole-4-carboxamide

Drug info:

PubChemData

Smile

CC1=NC2=NNC(=C2C(=C1)C(=O)NC3CCN(C3)C4CCCC4)C

DOS

IR

Vibrations