Geometry & MOs

Info

ID:	123587
PubChem CID:	50854932
Reduced:	NOC12H13 (2)
Stoich.:	ABC12D13 (2)
Weight, g/mol:	393.168856
ΔH_f, kcal/mol:	0.4
Dipole, Da:	6.98
IP(EA), eV:	-8.45(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC(=CC=C1)OC2=CC=C(C=C2)N=CC3=CN(C=C3)C4CCCCC4

DOS

IR

Vibrations