Geometry & MOs

Info

ID:	123853
PubChem CID:	50863153
Reduced:	BrClOSN3C25H27 (1)
Stoich.:	ABCDE3F25G27 (1)
Weight, g/mol:	413.187005
ΔH_f, kcal/mol:	6.7
Dipole, Da:	4.98
IP(EA), eV:	-8.12(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(E)-(7-chloro-2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)methylideneamino]-2-hydroxybenzamide

Drug info:

PubChemData

Smile

CCCN1C2=C(C=C(C(=C2)Cl)/C=C/3\C(=O)N=C(S3)NC4=CC=C(C=C4)Br)C(CC1(C)C)C

DOS

IR

Vibrations