Geometry & MOs

Info

ID:	346551
PubChem CID:	127271055
Reduced:	O2N3C13H19 (1)
Stoich.:	A2B3C13D19 (1)
Weight, g/mol:	327.169525
ΔH_f, kcal/mol:	-78.83
Dipole, Da:	5.7
IP(EA), eV:	-9.6(0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5-methyl-1-(4-methylphenyl)triazol-4-yl]-N-(1-methyl-5-oxopyrrolidin-3-yl)acetamide

Drug info:

PubChemData

Smile

CN1CC(CC1=O)NC(=O)C2(CCCCC2)C#N

DOS

IR

Vibrations