Geometry & MOs

Info

ID:	152382
PubChem CID:	56311297
Reduced:	SO2N3C22H27 (1)
Stoich.:	AB2C3D22E27 (1)
Weight, g/mol:	375.252192
ΔH_f, kcal/mol:	15.1
Dipole, Da:	3.9
IP(EA), eV:	-8.68(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[(4-methoxyphenyl)methyl]piperidin-1-yl]-N-methyl-N-[2-oxo-2-(propylamino)ethyl]acetamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CC2CCN(CC2)CCCC3=NC(=NO3)C4=CC=CS4

DOS

IR

Vibrations