Geometry & MOs

Info

ID:	123854
PubChem CID:	50863154
Reduced:	ClO2N3C23H28 (1)
Stoich.:	AB2C3D23E28 (1)
Weight, g/mol:	413.187005
ΔH_f, kcal/mol:	-46.88
Dipole, Da:	1.98
IP(EA), eV:	-7.75(-0.6)
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]-3-hydroxybenzamide

Drug info:

PubChemData

Smile

CCCN1C2=C(C=C(C(=C2)Cl)/C=N/NC(=O)C3=CC=CC=C3O)C(CC1(C)C)C

DOS

IR

Vibrations