Geometry & MOs

Info

ID:	375704
PubChem CID:	134220873
Reduced:	O2N3C13H29 (1)
Stoich.:	A2B3C13D29 (1)
Weight, g/mol:	464.9801
ΔH_f, kcal/mol:	-128.94
Dipole, Da:	1.88
IP(EA), eV:	-8.9(0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-acetyl-8-bromo-5-chloro-2-[(5-methoxycyclohepta-1,3,6-trien-1-yl)methylsulfanyl]-1H-quinolin-4-one

Drug info:

PubChemData

Smile

CC(CCNC(=O)OCCN)CC(C)(C)CNC

DOS

IR

Vibrations