Geometry & MOs

Info

ID:	311895
PubChem CID:	126599096
Reduced:	F3N3O3H22C24 (1)
Stoich.:	A3B3C3D22E24 (1)
Weight, g/mol:	496.283826
ΔH_f, kcal/mol:	-195.75
Dipole, Da:	2.23
IP(EA), eV:	-8.72(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-[(dimethylamino)methyl]phenyl]-2,8-dimethyl-N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]quinoline-7-carboxamide

Drug info:

PubChemData

Smile

CCOC(=O)[C@@H]1C[C@H]1C2=CC=CC(=N2)C3=CN=C(C=C3)NCC4=CC(=CC=C4)OC(F)(F)F

DOS

IR

Vibrations