Geometry & MOs

Info

ID:	408023
PubChem CID:	135080778
Reduced:	NOC4H7 (2)
Stoich.:	ABC4D7 (2)
Weight, g/mol:	282.98441
ΔH_f, kcal/mol:	-86.18
Dipole, Da:	4.76
IP(EA), eV:	-10.49(0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-bromophenyl)-6-methyl-1,3-oxazinane-2,4-dione

Drug info:

PubChemData

Smile

CCC[C@@](C(C)C#N)(C(=O)N)O

DOS

IR

Vibrations