Geometry & MOs

Info

ID:	311557
PubChem CID:	126593807
Reduced:	FON6C25H25 (1)
Stoich.:	ABC6D25E25 (1)
Weight, g/mol:	401.185175
ΔH_f, kcal/mol:	22.38
Dipole, Da:	2.2
IP(EA), eV:	-9.44(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-hydroxyethyl)-5,7-dimethyl-4-(2-methylpyrazol-3-yl)-6-pyridin-4-ylquinoline-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC2=C(C(=C1C3=CC=NC=C3)C)C(=CC(=N2)C(=O)N[C@@H]4CNC[C@@H]4F)C5=CC=NN5C

DOS

IR

Vibrations