Geometry & MOs

Info

ID:	123748
PubChem CID:	50860735
Reduced:	SN3O3C27H31 (1)
Stoich.:	AB3C3D27E31 (1)
Weight, g/mol:	446.212491
ΔH_f, kcal/mol:	-82.85
Dipole, Da:	11.91
IP(EA), eV:	-8.34(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(2-chlorophenoxy)phenyl]-1-(1-ethyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl)methanimine

Drug info:

PubChemData

Smile

CCN1C2=C(C=C(C(=C2)C)/C=C\3/C(=O)NC(=S)N(C3=O)C4=CC=C(C=C4)OC)C(CC1(C)C)C

DOS

IR

Vibrations