Geometry & MOs

Info

ID:	219411
PubChem CID:	85148373
Reduced:	N2O5C28H38 (1)
Stoich.:	A2B5C28D38 (1)
Weight, g/mol:	480.252526
ΔH_f, kcal/mol:	-183.89
Dipole, Da:	4.13
IP(EA), eV:	-8.58(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-1-[2-(5-phenyl-1H-imidazol-2-yl)piperidin-1-yl]-2-(4-phenylmethoxyphenyl)propan-1-one

Drug info:

PubChemData

Smile

CCCC1=C(C=CC=C1OCCCOC2=CC(=O)C(=C3CCNN3)C=C2CC)CCC(=O)OCC

DOS

IR

Vibrations