Geometry & MOs

Info

ID:	123733
PubChem CID:	50859838
Reduced:	N2O3C22H26 (1)
Stoich.:	A2B3C22D26 (1)
Weight, g/mol:	451.190734
ΔH_f, kcal/mol:	-82.29
Dipole, Da:	12.5
IP(EA), eV:	-8.18(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CC(N(C2=C1C=C(C(=C2)OC)C=NC3=CC=C(C=C3)C(=O)O)C)(C)C

DOS

IR

Vibrations