Geometry & MOs

Info

ID:	123842
PubChem CID:	50863032
Reduced:	ClN2O2C29H33 (1)
Stoich.:	AB2C2D29E33 (1)
Weight, g/mol:	472.187733
ΔH_f, kcal/mol:	-13.57
Dipole, Da:	3.84
IP(EA), eV:	-8.06(-0.1)
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-(2-nitrophenoxy)acetamide

Drug info:

PubChemData

Smile

CCCN1C2=C(C=C(C(=C2)Cl)C=NC3=CC=C(C=C3)OC4=CC=CC=C4OC)C(CC1(C)C)C

DOS

IR

Vibrations