Geometry & MOs

Info

ID:	271444
PubChem CID:	103678954
Reduced:	ClFNO2C16H21 (1)
Stoich.:	ABCD2E16F21 (1)
Weight, g/mol:	275.152144
ΔH_f, kcal/mol:	-139.96
Dipole, Da:	3.82
IP(EA), eV:	-9.7(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,3-dihydro-1-benzofuran-3-yl-[4-(1-hydroxyethyl)piperidin-1-yl]methanone

Drug info:

PubChemData

Smile

CC(C)(C)CC(CNC(=O)/C=C/C1=C(C=CC=C1Cl)F)O

DOS

IR

Vibrations