Geometry & MOs

Info

ID:	184126
PubChem CID:	77113828
Reduced:	NCl2O3C13H15 (1)
Stoich.:	AB2C3D13E15 (1)
Weight, g/mol:	303.042899
ΔH_f, kcal/mol:	-130.09
Dipole, Da:	4.35
IP(EA), eV:	-10.04(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3,4-dichlorophenyl)-N-(2,3-dihydroxy-2-methylpropyl)prop-2-enamide

Drug info:

PubChemData

Smile

CC(CNC(=O)C=CC1=CC(=CC(=C1)Cl)Cl)(CO)O

DOS

IR

Vibrations