Geometry & MOs

Info

ID:	123866
PubChem CID:	50863323
Reduced:	FCl2O2N3C24H28 (1)
Stoich.:	AB2C2D3E24F28 (1)
Weight, g/mol:	426.207406
ΔH_f, kcal/mol:	-98.53
Dipole, Da:	10.93
IP(EA), eV:	-8.2(-0.47)
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]-4-methylbenzoate

Drug info:

PubChemData

Smile

CCCN1C2=C(C=C(C(=C2)F)/C=N/NC(=O)COC3=C(C=C(C=C3)Cl)Cl)C(CC1(C)C)C

DOS

IR

Vibrations