Geometry & MOs

Info

ID:	22333
PubChem CID:	596751
Reduced:	NO3C21H25 (1)
Stoich.:	AB3C21D25 (1)
Weight, g/mol:	339.183444
ΔH_f, kcal/mol:	-91.18
Dipole, Da:	3.56
IP(EA), eV:	-9.05(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-benzylpiperidin-1-yl)-(3,5-dimethoxyphenyl)methanone

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1)C(=O)N2CCC(CC2)CC3=CC=CC=C3)OC

DOS

IR

Vibrations