Geometry & MOs

Info

ID:	82736
PubChem CID:	49856422
Reduced:	ClO3C12H19 (1)
Stoich.:	AB3C12D19 (1)
Weight, g/mol:	272.129156
ΔH_f, kcal/mol:	-167.8
Dipole, Da:	7.03
IP(EA), eV:	-9.6(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(2-chloroethyl)-6-methyl-3-propan-2-yl-2-propan-2-ylimino-1,3-oxazin-4-one

Drug info:

PubChemData

Smile

CC1=C(C(=O)CC(O1)OC(C)(C)C)CCCl

DOS

IR

Vibrations