Geometry & MOs

Info

ID:	360380
PubChem CID:	127301025
Reduced:	ON7C19H23 (1)
Stoich.:	AB7C19D23 (1)
Weight, g/mol:	373.130553
ΔH_f, kcal/mol:	66.61
Dipole, Da:	5.71
IP(EA), eV:	-9.34(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-chlorophenyl)-3-[3-(1,2,4-triazol-1-yl)piperidine-1-carbonyl]pyrrolidin-2-one

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N2C(=C(N=N2)CC(=O)N3CCCC(C3)N4C=NC=N4)C

DOS

IR

Vibrations