Geometry & MOs

Info

ID:	348267
PubChem CID:	127273332
Reduced:	SN3O3C20H25 (1)
Stoich.:	AB3C3D20E25 (1)
Weight, g/mol:	236.163711
ΔH_f, kcal/mol:	-65.68
Dipole, Da:	4.34
IP(EA), eV:	-8.91(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,2-dimethyl-N-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)propanamide

Drug info:

PubChemData

Smile

CCCC(C(=O)N1CCC2=C(C1)C=CS2)NC(=O)C3=NOC4=C3CCCC4

DOS

IR

Vibrations