Geometry & MOs

Info

ID:	357009
PubChem CID:	127293075
Reduced:	ON4C21H28 (1)
Stoich.:	AB4C21D28 (1)
Weight, g/mol:	277.19026
ΔH_f, kcal/mol:	-7.4
Dipole, Da:	2.7
IP(EA), eV:	-8.73(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-cyclopentylpyrrolidin-3-yl)-2-(1,2,4-triazol-1-yl)propanamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)N2C(=C(C=N2)C(=O)NC3CCN(C3)C4CCCC4)C

DOS

IR

Vibrations