Geometry & MOs

Info

ID:	156572
PubChem CID:	56371199
Reduced:	NO4C24H31 (1)
Stoich.:	AB4C24D31 (1)
Weight, g/mol:	434.220557
ΔH_f, kcal/mol:	-138.6
Dipole, Da:	4.85
IP(EA), eV:	-8.32(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[2-(3,4-dimethoxyphenyl)ethyl]piperidin-1-yl]-2-(2-phenyl-1,3-oxazol-4-yl)ethanone

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)C(=O)N2CCCCC2CCC3=CC(=C(C=C3)OC)OC

DOS

IR

Vibrations