Geometry & MOs

Info

ID:	311556
PubChem CID:	126593803
Reduced:	ON3C24H25 (1)
Stoich.:	AB3C24D25 (1)
Weight, g/mol:	444.207388
ΔH_f, kcal/mol:	20.61
Dipole, Da:	1.03
IP(EA), eV:	-9.18(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3R,4S)-4-fluoropyrrolidin-3-yl]-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)NC)C4=CCCCC4

DOS

IR

Vibrations