Geometry & MOs

Info

ID:	366626
PubChem CID:	127320155
Reduced:	O2N5C20H29 (1)
Stoich.:	A2B5C20D29 (1)
Weight, g/mol:	343.237211
ΔH_f, kcal/mol:	-12.44
Dipole, Da:	6.54
IP(EA), eV:	-9.18(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(azepan-1-yl)-N-[2-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]propanamide

Drug info:

PubChemData

Smile

CC(C)C(C1=NC(=NO1)C2=CN=CC=C2)NC(=O)C(C)N3CCCCCC3

DOS

IR

Vibrations