Geometry & MOs

Info

ID:	123584
PubChem CID:	50854929
Reduced:	FN3O3H20C21 (1)
Stoich.:	AB3C3D20E21 (1)
Weight, g/mol:	391.189592
ΔH_f, kcal/mol:	-120.29
Dipole, Da:	9.73
IP(EA), eV:	-9.31(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCC(CC1)N2C=CC(=C2)/C=C\3/C(=O)NC(=O)N(C3=O)C4=CC=CC=C4F

DOS

IR

Vibrations