Geometry & MOs

Info

ID:	172856
PubChem CID:	75560971
Reduced:	OCl2N3C24H25 (1)
Stoich.:	AB2C3D24E25 (1)
Weight, g/mol:	461.195071
ΔH_f, kcal/mol:	-2.39
Dipole, Da:	8.97
IP(EA), eV:	-8.29(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1,3-benzodioxol-5-yl)-5-[(1,2,2,4,7-pentamethyl-3,4-dihydroquinolin-6-yl)methylidene]-1,3-diazinane-2,4,6-trione

Drug info:

PubChemData

Smile

CC1CC(N(C2=C1C=C(C(=C2)C)C=C(C#N)C(=O)NC3=C(C=C(C=C3)Cl)Cl)C)(C)C

DOS

IR

Vibrations