Geometry & MOs

Info

ID:	43371
PubChem CID:	10321188
Reduced:	NPO6C22H38 (1)
Stoich.:	ABC6D22E38 (1)
Weight, g/mol:	443.200905
ΔH_f, kcal/mol:	-336.16
Dipole, Da:	2.64
IP(EA), eV:	-9.02(0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[1-[3-[(dimethylamino)methyl]-2-fluoro-4-phenylphenyl]-2-oxopiperidin-3-yl]oxybenzonitrile

Drug info:

PubChemData

Smile

CC(=CCC/C(=C/CC/C(=C/CC(=O)N[C@H](CP(=O)(OC)OC)C(=O)OC)/C)/C)C

DOS

IR

Vibrations