Geometry & MOs

Info

ID:	347164
PubChem CID:	127271705
Reduced:	O2N5C21H25 (1)
Stoich.:	A2B5C21D25 (1)
Weight, g/mol:	310.179361
ΔH_f, kcal/mol:	-15.29
Dipole, Da:	6.17
IP(EA), eV:	-8.92(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyclopentyl-N-[3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)phenyl]acetamide

Drug info:

PubChemData

Smile

C1CCC(C1)N2CC(CC2=O)C(=O)NC3=CC=CC(=C3)C4=NNC(=N4)C5CC5

DOS

IR

Vibrations