Geometry & MOs

Info

ID:	123774
PubChem CID:	50861647
Reduced:	BrFN2C21H24 (1)
Stoich.:	ABC2D21E24 (1)
Weight, g/mol:	469.156848
ΔH_f, kcal/mol:	-13.21
Dipole, Da:	4.53
IP(EA), eV:	-8.15(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-1-(4-chlorophenyl)-5-[(1-ethyl-7-fluoro-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)methylidene]-1,3-diazinane-2,4,6-trione

Drug info:

PubChemData

Smile

CCN1C2=C(C=C(C(=C2)F)C=NC3=CC=CC=C3Br)C(CC1(C)C)C

DOS

IR

Vibrations