Geometry & MOs

Info

ID:	362086
PubChem CID:	127305763
Reduced:	SN3O3C19H31 (1)
Stoich.:	AB3C3D19E31 (1)
Weight, g/mol:	395.232125
ΔH_f, kcal/mol:	-155.42
Dipole, Da:	7.14
IP(EA), eV:	-8.87(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5-methyl-1-(4-methylphenyl)triazol-4-yl]-1-[3-(pyrrolidine-1-carbonyl)piperidin-1-yl]ethanone

Drug info:

PubChemData

Smile

CC(C)(C)C(=O)N1CSCC1C(=O)N2CCCC(C2)C(=O)N3CCCC3

DOS

IR

Vibrations