Geometry & MOs

Info

ID:	123792
PubChem CID:	50862190
Reduced:	Br2O2N3C24H29 (1)
Stoich.:	A2B2C3D24E29 (1)
Weight, g/mol:	448.0917
ΔH_f, kcal/mol:	-51.83
Dipole, Da:	5.46
IP(EA), eV:	-8.04(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-bromo-3-chlorophenyl)-1-(1-ethyl-7-methoxy-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)methanimine

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations