Geometry & MOs

Info

ID:	126606
PubChem CID:	50969790
Reduced:	OSN6C18H20 (1)
Stoich.:	ABC6D18E20 (1)
Weight, g/mol:	353.196408
ΔH_f, kcal/mol:	70.74
Dipole, Da:	6.23
IP(EA), eV:	-8.46(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]-1-(piperidin-3-ylmethyl)triazole-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NCC2=CC=CC=N2)C(=O)NCCSC3=NNN=C3

DOS

IR

Vibrations