Geometry & MOs

Info

ID:	183637
PubChem CID:	77047154
Reduced:	OF2N2H10C13 (1)
Stoich.:	AB2C2D10E13 (1)
Weight, g/mol:	268.13872
ΔH_f, kcal/mol:	-54.17
Dipole, Da:	4.97
IP(EA), eV:	-9.81(-1.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2,4-difluorophenyl)methyl]-5-ethyl-6-methyl-1,3-diazinan-4-one

Drug info:

PubChemData

Smile

CC1=NC(=NC(=O)C1=C)CC2=C(C=C(C=C2)F)F

DOS

IR

Vibrations