Geometry & MOs

Info

ID:	123862
PubChem CID:	50863162
Reduced:	ClIO2N3C24H29 (1)
Stoich.:	ABC2D3E24F29 (1)
Weight, g/mol:	412.191756
ΔH_f, kcal/mol:	-23.98
Dipole, Da:	4.32
IP(EA), eV:	-7.96(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[(7-chloro-2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)methylideneamino]benzoate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations