Geometry & MOs

Info

ID:	196309
PubChem CID:	78809894
Reduced:	OSN2C19H26 (1)
Stoich.:	ABC2D19E26 (1)
Weight, g/mol:	348.054466
ΔH_f, kcal/mol:	0.58
Dipole, Da:	1.58
IP(EA), eV:	-8.68(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,4-dichlorophenyl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide

Drug info:

PubChemData

Smile

CC1=C(SC=C1)CNCC(C2=CC(=CC=C2)OC)N3CCCC3

DOS

IR

Vibrations