Geometry & MOs

Info

ID:	183255
PubChem CID:	76998852
Reduced:	FO2N5C10H14 (1)
Stoich.:	AB2C5D10E14 (1)
Weight, g/mol:	282.076433
ΔH_f, kcal/mol:	-101.87
Dipole, Da:	2.67
IP(EA), eV:	-8.93(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(4-amino-3-nitrophenyl)methyl]-5-fluoro-1,3-diazinane-2,4-dione

Drug info:

PubChemData

Smile

CC1=NN(C(=C1CN2CC(C(=O)NC2=O)F)N)C

DOS

IR

Vibrations