Geometry & MOs

Info

ID:	278906
PubChem CID:	103839767
Reduced:	ClFN2O2C13H18 (1)
Stoich.:	ABC2D2E13F18 (1)
Weight, g/mol:	302.085577
ΔH_f, kcal/mol:	-131.18
Dipole, Da:	4.36
IP(EA), eV:	-9.1(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(5-chlorothiophen-2-yl)-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]prop-2-enamide

Drug info:

PubChemData

Smile

CC(CNC(=O)C1=C(C(=CC=C1)Cl)F)(CN(C)C)O

DOS

IR

Vibrations