Geometry & MOs

Info

ID:	172201
PubChem CID:	75479232
Reduced:	SO3N4C16H20 (1)
Stoich.:	AB3C4D16E20 (1)
Weight, g/mol:	340.189926
ΔH_f, kcal/mol:	-73.28
Dipole, Da:	5.16
IP(EA), eV:	-9.77(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)piperidin-1-yl]-2-(2-methoxyphenyl)ethanone

Drug info:

PubChemData

Smile

CC1=C(C=NN1C2CCS(=O)(=O)C2)C(=O)NC(C)C3=CC=CC=N3

DOS

IR

Vibrations