Geometry & MOs

Info

ID:	167783
PubChem CID:	74874535
Reduced:	ClO2N3C14H20 (1)
Stoich.:	AB2C3D14E20 (1)
Weight, g/mol:	287.152144
ΔH_f, kcal/mol:	-60.33
Dipole, Da:	5.47
IP(EA), eV:	-9.18(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2,3-dihydro-1-benzofuran-5-yl)-1-[2-(hydroxymethyl)piperidin-1-yl]prop-2-en-1-one

Drug info:

PubChemData

Smile

CC1=NN(C(=C1C=CC(=O)N2CCCCC2CO)Cl)C

DOS

IR

Vibrations