Geometry & MOs

Info

ID:	131289
PubChem CID:	51187085
Reduced:	ON2H11C12 (2)
Stoich.:	AB2C11D12 (2)
Weight, g/mol:	379.200825
ΔH_f, kcal/mol:	41.55
Dipole, Da:	4.33
IP(EA), eV:	-9.12(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-tert-butyl-N-[1-oxo-1-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethylamino)propan-2-yl]benzamide

Drug info:

PubChemData

Smile

C1CN(CCN1CC2=CC=NC=C2)C(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CO5

DOS

IR

Vibrations