Geometry & MOs

Info

ID:	280464
PubChem CID:	103849418
Reduced:	ClNO3C15H18 (1)
Stoich.:	ABC3D15E18 (1)
Weight, g/mol:	325.03136
ΔH_f, kcal/mol:	-110.25
Dipole, Da:	1.91
IP(EA), eV:	-9.63(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC1(C2=CC=C(C=C2)Cl)C(=O)NCC3(CCOC3)O

DOS

IR

Vibrations