Geometry & MOs

Info

ID:	258595
PubChem CID:	103155522
Reduced:	N2O2C17H28 (1)
Stoich.:	A2B2C17D28 (1)
Weight, g/mol:	263.138225
ΔH_f, kcal/mol:	-100.93
Dipole, Da:	4.4
IP(EA), eV:	-9.24(0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)C(C(C)C)NC(=O)CC(CN)OC

DOS

IR

Vibrations