Geometry & MOs

Info

ID:	78338
PubChem CID:	49688408
Reduced:	SN3O5C16H25 (1)
Stoich.:	AB3C5D16E25 (1)
Weight, g/mol:	410.220557
ΔH_f, kcal/mol:	-205.55
Dipole, Da:	3.17
IP(EA), eV:	-8.86(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-methoxyphenyl)-N-[[1-(2-phenoxyacetyl)piperidin-4-yl]methyl]propanamide

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1)NC(=O)NCC2CCN(CC2)S(=O)(=O)C)OC

DOS

IR

Vibrations