Geometry & MOs

Info

ID:	52695
PubChem CID:	12015709
Reduced:	BrNOF3C5H7 (1)
Stoich.:	ABCD3E5F7 (1)
Weight, g/mol:	216.099774
ΔH_f, kcal/mol:	-200.16
Dipole, Da:	5.27
IP(EA), eV:	-9.96(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (Z,4R)-3,5-dimethoxy-4-methyl-6-oxohex-2-enoate

Drug info:

PubChemData

Smile

CN(C)C(=O)C(C(F)(F)F)Br

DOS

IR

Vibrations