Geometry & MOs

Info

ID:	272911
PubChem CID:	103765475
Reduced:	BrClON2C15H20 (1)
Stoich.:	ABCD2E15F20 (1)
Weight, g/mol:	265.147807
ΔH_f, kcal/mol:	-37.78
Dipole, Da:	4.43
IP(EA), eV:	-8.66(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-fluoro-3-methylphenyl)-[4-(1-hydroxyethyl)piperidin-1-yl]methanone

Drug info:

PubChemData

Smile

CCN1CCCC1CN(C)C(=O)C2=C(C=C(C=C2)Cl)Br

DOS

IR

Vibrations