Geometry & MOs

Info

ID:	123752
PubChem CID:	50860825
Reduced:	BrClN2C22H26 (1)
Stoich.:	ABC2D22E26 (1)
Weight, g/mol:	392.246378
ΔH_f, kcal/mol:	18.94
Dipole, Da:	7.11
IP(EA), eV:	-8.09(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[(1-ethyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl)methylideneamino]-4-methylbenzoate

Drug info:

PubChemData

Smile

CCN1C2=C(C=C(C(=C2)Cl)C=NC3=CC(=C(C=C3)Br)C)C(CC1(C)C)C

DOS

IR

Vibrations