Geometry & MOs

Info

ID:	126522
PubChem CID:	50967142
Reduced:	SN3C12H17 (1)
Stoich.:	AB3C12D17 (1)
Weight, g/mol:	333.099252
ΔH_f, kcal/mol:	69.85
Dipole, Da:	3.68
IP(EA), eV:	-8.74(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-acetamido-2-chloro-N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)benzamide

Drug info:

PubChemData

Smile

CN(CCCN1C=CC=N1)CC2=CSC=C2

DOS

IR

Vibrations