Geometry & MOs

Info

ID:	271434
PubChem CID:	103677672
Reduced:	ClO2N3C15H24 (1)
Stoich.:	AB2C3D15E24 (1)
Weight, g/mol:	303.083763
ΔH_f, kcal/mol:	-81.92
Dipole, Da:	5.34
IP(EA), eV:	-9.26(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-chloro-4,5-difluorophenyl)-[4-(1-hydroxyethyl)piperidin-1-yl]methanone

Drug info:

PubChemData

Smile

CC1=NN(C(=C1/C=C/C(=O)NCC(CC(C)(C)C)O)Cl)C

DOS

IR

Vibrations