Geometry & MOs

Info

ID:	123588
PubChem CID:	50854933
Reduced:	N3O4C22H23 (1)
Stoich.:	A3B4C22D23 (1)
Weight, g/mol:	397.119319
ΔH_f, kcal/mol:	-115.58
Dipole, Da:	9.47
IP(EA), eV:	-8.62(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-1-(4-chlorophenyl)-5-[(1-cyclohexylpyrrol-3-yl)methylidene]-1,3-diazinane-2,4,6-trione

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)N2C(=O)/C(=C\C3=CN(C=C3)C4CCCCC4)/C(=O)NC2=O

DOS

IR

Vibrations