Geometry & MOs

Info

ID:	308864
PubChem CID:	126531665
Reduced:	BrClFNOH6C10 (1)
Stoich.:	ABCDEF6G10 (1)
Weight, g/mol:	339.11384
ΔH_f, kcal/mol:	-61.69
Dipole, Da:	6.92
IP(EA), eV:	-9.13(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5-(3-chloro-4-ethenyl-2-methylquinolin-6-yl)pyrimidin-2-yl]propan-2-ol

Drug info:

PubChemData

Smile

CC1=C(C(=O)C2=CC(=C(C=C2N1)F)Br)Cl

DOS

IR

Vibrations