Geometry & MOs

Info

ID:	126931
PubChem CID:	50984663
Reduced:	ON4C16H16 (1)
Stoich.:	AB4C16D16 (1)
Weight, g/mol:	350.174276
ΔH_f, kcal/mol:	67.31
Dipole, Da:	8.18
IP(EA), eV:	-8.91(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(furan-2-yl)-3-phenyl-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)propanamide

Drug info:

PubChemData

Smile

CC1=NC(=O)/C(=C\2/NNC(=N2)CCC3=CC=CC=C3)/C=C1

DOS

IR

Vibrations