Geometry & MOs

Info

ID:	130639
PubChem CID:	51091848
Reduced:	OSN4C18H18 (1)
Stoich.:	ABC4D18E18 (1)
Weight, g/mol:	322.154209
ΔH_f, kcal/mol:	53.1
Dipole, Da:	4.09
IP(EA), eV:	-9.06(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-benzyl-1,2,4-triazol-3-yl)-2-(dimethylamino)pyridine-4-carboxamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CN2C=CN=C2NC(=O)CSCC3=CC=NC=C3

DOS

IR

Vibrations