Geometry & MOs

Info

ID:	24300
PubChem CID:	609157
Reduced:	BrON2H21C22 (1)
Stoich.:	ABC2D21E22 (1)
Weight, g/mol:	408.08373
ΔH_f, kcal/mol:	19.76
Dipole, Da:	5.29
IP(EA), eV:	-9.31(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6-bromo-2-phenylquinolin-4-yl)-(4-methylpiperidin-1-yl)methanone

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(=O)C2=CC(=NC3=C2C=C(C=C3)Br)C4=CC=CC=C4

DOS

IR

Vibrations