Geometry & MOs

Info

ID:	361658
PubChem CID:	127303990
Reduced:	ON3C10H12 (2)
Stoich.:	AB3C10D12 (2)
Weight, g/mol:	393.216475
ΔH_f, kcal/mol:	7.14
Dipole, Da:	7.16
IP(EA), eV:	-8.94(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC1N2C=NN=C2C3CCN(CC3)C(=O)C4=CC=C(C=C4)N5CCNC5=O

DOS

IR

Vibrations