Geometry & MOs

Info

ID:	152579
PubChem CID:	56311547
Reduced:	FON3C24H26 (1)
Stoich.:	ABC3D24E26 (1)
Weight, g/mol:	436.272593
ΔH_f, kcal/mol:	-23.9
Dipole, Da:	4.09
IP(EA), eV:	-8.42(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[(4-methoxyphenyl)methyl]piperidin-1-yl]-N-[(4-phenyloxan-4-yl)methyl]acetamide

Drug info:

PubChemData

Smile

C1CN(CCN(C1)CC(=O)NC2=CC=CC3=CC=CC=C32)CC4=CC=CC=C4F

DOS

IR

Vibrations