Geometry & MOs

Info

ID:	84709
PubChem CID:	49869384
Reduced:	ON4C11H12 (2)
Stoich.:	AB4C11D12 (2)
Weight, g/mol:	433.165108
ΔH_f, kcal/mol:	58.59
Dipole, Da:	7.96
IP(EA), eV:	-9.23(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)pyridin-2-yl]-4-quinolin-3-ylpyridine-2-carboxamide

Drug info:

PubChemData

Smile

CCN1CCN(CC1=O)C2=CC(=NC=C2)C(=O)NC3=CC=CC(=N3)C4=NN=CN4C5CC5

DOS

IR

Vibrations