Geometry & MOs

Info

ID:	280465
PubChem CID:	103849420
Reduced:	BrNO3C14H16 (1)
Stoich.:	ABC3D14E16 (1)
Weight, g/mol:	289.167794
ΔH_f, kcal/mol:	-97.51
Dipole, Da:	3.2
IP(EA), eV:	-9.83(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-[(3-hydroxyoxolan-3-yl)methyl]-3-(4-propan-2-ylphenyl)prop-2-enamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations