Geometry & MOs

Info

ID:	84901
PubChem CID:	49870611
Reduced:	ON7H17C19 (1)
Stoich.:	AB7C17D19 (1)
Weight, g/mol:	410.185509
ΔH_f, kcal/mol:	103.52
Dipole, Da:	7.37
IP(EA), eV:	-9.12(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(4-cyclopentyl-1,2,4-triazol-3-yl)phenyl]-4-pyridin-3-ylpyridine-2-carboxamide

Drug info:

PubChemData

Smile

CN1C=NC=C1C2=CC(=NC=C2)C(=O)NC3=CC=CC(=C3)C4=NN=CN4C

DOS

IR

Vibrations