Geometry & MOs

Info

ID:	124021
PubChem CID:	50869937
Reduced:	BrN3O4C28H30 (1)
Stoich.:	AB3C4D28E30 (1)
Weight, g/mol:	406.225643
ΔH_f, kcal/mol:	-124.18
Dipole, Da:	10.31
IP(EA), eV:	-8.41(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(7-methoxy-2,2,4-trimethyl-1-propylquinolin-6-yl)methylideneamino]-4-methylbenzoic acid

Drug info:

PubChemData

Smile

CCCN1C2=C(C=C(C(=C2)OC)/C=C\3/C(=O)NC(=O)N(C3=O)C4=C(C=C(C=C4)Br)C)C(=CC1(C)C)C

DOS

IR

Vibrations