Geometry & MOs

Info

ID:	172364
PubChem CID:	75498541
Reduced:	FO2N4H15C17 (1)
Stoich.:	AB2C4D15E17 (1)
Weight, g/mol:	261.172879
ΔH_f, kcal/mol:	-26.77
Dipole, Da:	3.64
IP(EA), eV:	-8.92(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2,4-dimethylphenyl)-[2-(1-hydroxyethyl)piperidin-1-yl]methanone

Drug info:

PubChemData

Smile

CC(C1=CC=CC=C1NC(=O)C2=NN(N=C2)C3=CC=C(C=C3)F)O

DOS

IR

Vibrations