Geometry & MOs

Info

ID:	128766
PubChem CID:	51057401
Reduced:	ClO2N3H14C16 (1)
Stoich.:	AB2C3D14E16 (1)
Weight, g/mol:	379.124215
ΔH_f, kcal/mol:	-0.34
Dipole, Da:	5.98
IP(EA), eV:	-8.69(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-methyl-5-oxo-4-(4-phenylthiophen-2-yl)-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate

Drug info:

PubChemData

Smile

CC1=C(C(C(=C(N1)C)C#N)C2=CC(=C(C(=C2)Cl)O)OC)C#N

DOS

IR

Vibrations