Geometry & MOs

Info

ID:	258505
PubChem CID:	103154571
Reduced:	BrN2O4C14H19 (1)
Stoich.:	AB2C4D14E19 (1)
Weight, g/mol:	277.153875
ΔH_f, kcal/mol:	-162.55
Dipole, Da:	4.66
IP(EA), eV:	-9.41(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-3-methoxy-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]butanamide

Drug info:

PubChemData

Smile

CCOC(=O)C1=CC(=C(C=C1)NC(=O)CC(CN)OC)Br

DOS

IR

Vibrations