Geometry & MOs

Info

ID:	124010
PubChem CID:	50869824
Reduced:	SN3O3C34H37 (1)
Stoich.:	AB3C3D34E37 (1)
Weight, g/mol:	474.11681
ΔH_f, kcal/mol:	-31.45
Dipole, Da:	3.93
IP(EA), eV:	-7.87(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-iodophenyl)-1-(7-methoxy-2,2,4-trimethyl-1-propylquinolin-6-yl)methanimine

Drug info:

PubChemData

Smile

CCCN1C2=C(C=C(C(=C2)OC)/C=C/3\C(=O)N(C(=NC4=CC=CC=C4)S3)CC5=CC=C(C=C5)OC)C(=CC1(C)C)C

DOS

IR

Vibrations