Geometry & MOs

Info

ID:	28183
PubChem CID:	826092
Reduced:	O2C13H18 (1)
Stoich.:	A2B13C18 (1)
Weight, g/mol:	337.063634
ΔH_f, kcal/mol:	-96.07
Dipole, Da:	5.62
IP(EA), eV:	-9.62(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-chloro-3-[(Z)-3-chlorobut-2-enyl]-2-methylquinoline-6-carboxylate

Drug info:

PubChemData

Smile

C[C@H](C1=CC=C(C=C1)C(C)(C)C)C(=O)O

DOS

IR

Vibrations