Geometry & MOs

Info

ID:	269288
PubChem CID:	103616747
Reduced:	INO3C12H16 (1)
Stoich.:	ABC3D12E16 (1)
Weight, g/mol:	299.034065
ΔH_f, kcal/mol:	-106.65
Dipole, Da:	5.06
IP(EA), eV:	-9.07(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COCCCCNC(=O)C1=C(C=CC(=C1)I)O

DOS

IR

Vibrations