Geometry & MOs

Info

ID:	31943
PubChem CID:	3724289
Reduced:	NCl2O2H15C18 (1)
Stoich.:	AB2C2D15E18 (1)
Weight, g/mol:	405.185255
ΔH_f, kcal/mol:	-34.99
Dipole, Da:	3.59
IP(EA), eV:	-8.61(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-fluorophenyl)-2,7,7-trimethyl-5-oxo-4-pyridin-2-yl-1,4,6,8-tetrahydroquinoline-3-carboxamide

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C(=C1)Cl)C2=C(N3C=C(C=CC3=C2)C)C=O)Cl

DOS

IR

Vibrations