Geometry & MOs

Info

ID:	123863
PubChem CID:	50863163
Reduced:	ClN2O2C24H29 (1)
Stoich.:	AB2C2D24E29 (1)
Weight, g/mol:	479.195125
ΔH_f, kcal/mol:	-62.24
Dipole, Da:	7.72
IP(EA), eV:	-8.18(-0.62)
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-[3-(trifluoromethyl)phenyl]acetamide

Drug info:

PubChemData

Smile

CCCN1C2=C(C=C(C(=C2)Cl)C=NC3=CC=CC(=C3)C(=O)OC)C(CC1(C)C)C

DOS

IR

Vibrations