Geometry & MOs

Info

ID:	68955
PubChem CID:	46513493
Reduced:	ClSN2O2H19C21 (1)
Stoich.:	ABC2D2E19F21 (1)
Weight, g/mol:	321.15896
ΔH_f, kcal/mol:	-36.79
Dipole, Da:	5.61
IP(EA), eV:	-8.79(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,6-dimethyl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)CCC(=O)NC2=CC(=CC=C2)NC(=O)C3=CC=CS3)Cl

DOS

IR

Vibrations