Geometry & MOs

Info

ID:	183558
PubChem CID:	77039439
Reduced:	FIN2O2H8C12 (1)
Stoich.:	ABC2D2E8F12 (1)
Weight, g/mol:	250.10659
ΔH_f, kcal/mol:	-24.46
Dipole, Da:	6.58
IP(EA), eV:	-9.46(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(aminomethyl)-2-(3-nitrophenyl)-1,3-diazinan-4-one

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1F)C=CC(=O)O)N2C=C(C=N2)I

DOS

IR

Vibrations