Geometry & MOs

Info

ID:	30751
PubChem CID:	841797
Reduced:	ClN2O2H11C12 (1)
Stoich.:	AB2C2D11E12 (1)
Weight, g/mol:	229.110279
ΔH_f, kcal/mol:	-36.43
Dipole, Da:	2.82
IP(EA), eV:	-9.27(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-propylquinoline-4-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)/C(=C/NC1=CC=C(C=C1)Cl)/C#N

DOS

IR

Vibrations