Geometry & MOs

Info

ID:	123592
PubChem CID:	50854937
Reduced:	ON3C17H21 (1)
Stoich.:	AB3C17D21 (1)
Weight, g/mol:	391.189592
ΔH_f, kcal/mol:	18.2
Dipole, Da:	5.77
IP(EA), eV:	-8.34(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=NC=C(C=C1)N=CC2=CN(C=C2)C3CCCCC3

DOS

IR

Vibrations