Geometry & MOs

Info

ID:	84900
PubChem CID:	49870603
Reduced:	FN3C16H18 (1)
Stoich.:	AB3C16D18 (1)
Weight, g/mol:	359.149458
ΔH_f, kcal/mol:	-5.5
Dipole, Da:	1.86
IP(EA), eV:	-8.94(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3-methylimidazol-4-yl)-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

C1CCC(CC1)NC2=NC=CC(=N2)C3=CC=C(C=C3)F

DOS

IR

Vibrations