Geometry & MOs

Info

ID:

123883

PubChem CID:

50863820

Reduced:

BrN3O4C27H30 (1)

Stoich.:

AB3C4D27E30 (1)

Weight, g/mol:

475.247107

ΔHf, kcal/mol:

-131.92

Dipole, Da:

12.96

IP(EA), eV:

 -8.45(-1.04)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(5Z)-5-[(7-methoxy-2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)methylidene]-1-(2-methylphenyl)-1,3-diazinane-2,4,6-trione

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations