Geometry & MOs

Info

ID:	361456
PubChem CID:	127303544
Reduced:	N2O3C22H26 (1)
Stoich.:	A2B3C22D26 (1)
Weight, g/mol:	383.232125
ΔH_f, kcal/mol:	-81.52
Dipole, Da:	3.52
IP(EA), eV:	-8.82(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(morpholin-4-ylmethyl)-N-(3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)benzamide

Drug info:

PubChemData

Smile

C1CC(C2=CC=CC=C2OC1)NC(=O)C3=CC=CC(=C3)CN4CCOCC4

DOS

IR

Vibrations