Geometry & MOs

Info

ID:	123882
PubChem CID:	50863683
Reduced:	FNC11H13 (2)
Stoich.:	ABC11D13 (2)
Weight, g/mol:	539.14197
ΔH_f, kcal/mol:	-62.08
Dipole, Da:	5.21
IP(EA), eV:	-8.06(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCN1C2=C(C=C(C(=C2)F)C=NC3=CC=CC=C3F)C(CC1(C)C)C

DOS

IR

Vibrations