Geometry & MOs

Info

ID:	280460
PubChem CID:	103849409
Reduced:	BrNO4C12H14 (1)
Stoich.:	ABC4D12E14 (1)
Weight, g/mol:	277.131408
ΔH_f, kcal/mol:	-124.6
Dipole, Da:	1.82
IP(EA), eV:	-9.37(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-[(3-hydroxyoxolan-3-yl)methyl]-3-(2-methoxyphenyl)prop-2-enamide

Drug info:

PubChemData

Smile

C1COCC1(CNC(=O)/C=C/C2=CC=C(O2)Br)O

DOS

IR

Vibrations