Geometry & MOs

Info

ID:	151291
PubChem CID:	53800997
Reduced:	BrCl2O4N5H26C31 (1)
Stoich.:	AB2C4D5E26F31 (1)
Weight, g/mol:	203.094629
ΔH_f, kcal/mol:	-5.47
Dipole, Da:	3.73
IP(EA), eV:	-8.7(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,8-dimethyl-1,2-dihydroquinoline-3-carboxylic acid

Drug info:

PubChemData

Smile

CC1=C(N2C=CC=C(C2=N1)OCC3=C(C=CC(=C3Cl)N(C)C(=O)CNC(=O)C=CC4=CC=C(C=C4)C(=O)NCC#C)Cl)Br

DOS

IR

Vibrations