Geometry & MOs

Info

ID:	177367
PubChem CID:	76175612
Reduced:	ON3C14H23 (1)
Stoich.:	AB3C14D23 (1)
Weight, g/mol:	265.15904
ΔH_f, kcal/mol:	-44.25
Dipole, Da:	6.52
IP(EA), eV:	-9.61(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-amino-2-(3-fluoro-4-methylphenyl)-5-propan-2-yl-1,3-diazinan-4-one

Drug info:

PubChemData

Smile

CCCC1C(=NC(=NC1=O)C2CCC(CC2)C)N

DOS

IR

Vibrations