Geometry & MOs

Info

ID:	70210
PubChem CID:	47211693
Reduced:	ON5C13H17 (1)
Stoich.:	AB5C13D17 (1)
Weight, g/mol:	263.084081
ΔH_f, kcal/mol:	23.31
Dipole, Da:	1.43
IP(EA), eV:	-9.79(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methylsulfanyl-N-[[2-(1,2,4-triazol-1-yl)pyridin-3-yl]methyl]acetamide

Drug info:

PubChemData

Smile

CC(C)CC(=O)NCC1=C(N=CC=C1)N2C=NC=N2

DOS

IR

Vibrations