Geometry & MOs

Info

ID:	130615
PubChem CID:	51091700
Reduced:	NSO4C16H19 (1)
Stoich.:	ABC4D16E19 (1)
Weight, g/mol:	336.169859
ΔH_f, kcal/mol:	-117.68
Dipole, Da:	5.67
IP(EA), eV:	-8.63(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(dimethylamino)-1-phenylethyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)CNS(=O)(=O)C2=CC=CC=C2OC)OC

DOS

IR

Vibrations