Geometry & MOs

Info

ID:	28180
PubChem CID:	826087
Reduced:	O4C9H14 (1)
Stoich.:	A4B9C14 (1)
Weight, g/mol:	342.95302
ΔH_f, kcal/mol:	-199.03
Dipole, Da:	5.42
IP(EA), eV:	-10.87(0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1C[C@@H](C[C@H](C1)C(=O)O)C(=O)O

DOS

IR

Vibrations