Geometry & MOs

Info

ID:	280499
PubChem CID:	103849627
Reduced:	BrNO2H12C14 (1)
Stoich.:	ABC2D12E14 (1)
Weight, g/mol:	307.141973
ΔH_f, kcal/mol:	-45.78
Dipole, Da:	4.14
IP(EA), eV:	-8.5(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,6-dimethyl-4-(phenylmethoxycarbonylamino)oxane-4-carboxylic acid

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C(=O)NC2=CC=CC=C2O)Br

DOS

IR

Vibrations