Geometry & MOs

Info

ID:	123965
PubChem CID:	50868004
Reduced:	N3O5C27H29 (1)
Stoich.:	A3B5C27D29 (1)
Weight, g/mol:	479.161184
ΔH_f, kcal/mol:	-156.35
Dipole, Da:	10.68
IP(EA), eV:	-8.32(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN1C2=C(C=C(C(=C2)OC)/C=C\3/C(=O)NC(=O)N(C3=O)C4=CC=C(C=C4)OC)C(=CC1(C)C)C

DOS

IR

Vibrations