Geometry & MOs

Info

ID:	123579
PubChem CID:	50854901
Reduced:	O2F3N4C18H19 (1)
Stoich.:	A2B3C4D18E19 (1)
Weight, g/mol:	377.173942
ΔH_f, kcal/mol:	-109.52
Dipole, Da:	11.5
IP(EA), eV:	-8.72(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCC(CC1)N2C=CC(=C2)/C=N/NC3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-]

DOS

IR

Vibrations