Geometry & MOs

Info

ID:	353598
PubChem CID:	127285175
Reduced:	SO2N5C18H21 (1)
Stoich.:	AB2C5D18E21 (1)
Weight, g/mol:	381.216475
ΔH_f, kcal/mol:	-18.61
Dipole, Da:	4.14
IP(EA), eV:	-9.46(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-[2-[5-methyl-1-(4-methylphenyl)triazol-4-yl]acetyl]piperidin-4-yl]pyrrolidin-2-one

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)C2=NC=CC=N2)C(=O)N3CCC(CC3)N4CCCC4=O

DOS

IR

Vibrations