Geometry & MOs

Info

ID:	258587
PubChem CID:	103155494
Reduced:	N3O3C11H23 (1)
Stoich.:	A3B3C11D23 (1)
Weight, g/mol:	277.153875
ΔH_f, kcal/mol:	-157.07
Dipole, Da:	0.8
IP(EA), eV:	-9.5(0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)C(=O)NCCNC(=O)CC(CN)OC

DOS

IR

Vibrations