Geometry & MOs

Info

ID:	123787
PubChem CID:	50862185
Reduced:	ClON3C23H28 (1)
Stoich.:	ABC3D23E28 (1)
Weight, g/mol:	397.19209
ΔH_f, kcal/mol:	-6.98
Dipole, Da:	6.63
IP(EA), eV:	-8.04(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-chloro-N-[(Z)-(2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)methylideneamino]benzamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations