Geometry & MOs

Info

ID:	361599
PubChem CID:	127303865
Reduced:	ON3C10H13 (2)
Stoich.:	AB3C10D13 (2)
Weight, g/mol:	397.191403
ΔH_f, kcal/mol:	-17.56
Dipole, Da:	6.2
IP(EA), eV:	-9.2(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)NC(=O)NCC(=O)N2CCCC(C2)C3=NN=CN3C4CC4

DOS

IR

Vibrations