Geometry & MOs

Info

ID:	124302
PubChem CID:	50877831
Reduced:	BrON2H13C17 (1)
Stoich.:	ABC2D13E17 (1)
Weight, g/mol:	388.99305
ΔH_f, kcal/mol:	35.76
Dipole, Da:	5.16
IP(EA), eV:	-8.94(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[(7-bromoquinolin-4-yl)amino]-4-chlorophenyl]acetamide

Drug info:

PubChemData

Smile

CC(=O)C1=CC=C(C=C1)NC2=C3C=CC(=CC3=NC=C2)Br

DOS

IR

Vibrations