Geometry & MOs

Info

ID:	390715
PubChem CID:	135000527
Reduced:	BNO2C18H24 (1)
Stoich.:	ABC2D18E24 (1)
Weight, g/mol:	353.162708
ΔH_f, kcal/mol:	-125.09
Dipole, Da:	6.35
IP(EA), eV:	-9.36(0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl 1-methyl-2-(4-methylphenyl)-2,4-dihydroquinoline-3,3-dicarboxylate

Drug info:

PubChemData

Smile

B1(OC(C(O1)(C)C)(C)C)C/C(=C\CCC2=CC=CC=C2)/C#N

DOS

IR

Vibrations