Geometry & MOs

Info

ID:	183817
PubChem CID:	77073536
Reduced:	BrO2N3C14H20 (1)
Stoich.:	AB2C3D14E20 (1)
Weight, g/mol:	234.136828
ΔH_f, kcal/mol:	-44.37
Dipole, Da:	4.29
IP(EA), eV:	-9.23(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(methoxymethyl)phenyl]-6-methyl-1,3-diazinan-4-one

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1Br)C(=O)N(CCC(=NO)N)C(C)C

DOS

IR

Vibrations