Geometry & MOs

Info

ID:	3745
PubChem CID:	10101
Reduced:	NO2C15H21 (1)
Stoich.:	AB2C15D21 (1)
Weight, g/mol:	247.157229
ΔH_f, kcal/mol:	-76.73
Dipole, Da:	3.28
IP(EA), eV:	-8.76(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(3-hydroxyphenyl)-1-methylpiperidin-4-yl]propan-1-one

Drug info:

PubChemData

Smile

CCC(=O)C1(CCN(CC1)C)C2=CC(=CC=C2)O

DOS

IR

Vibrations