Geometry & MOs

Info

ID:	287357
PubChem CID:	104239101
Reduced:	ClN2O2C14H17 (1)
Stoich.:	AB2C2D14E17 (1)
Weight, g/mol:	283.097521
ΔH_f, kcal/mol:	-50.96
Dipole, Da:	5.24
IP(EA), eV:	-9.04(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-chloro-4-[(1S)-1-hydroxyethyl]phenoxy]-N-prop-2-enylpropanamide

Drug info:

PubChemData

Smile

CCN1C=NC=C1COC2=C(C=C(C=C2)[C@H](C)O)Cl

DOS

IR

Vibrations