Geometry & MOs

Info

ID:	152379
PubChem CID:	56311294
Reduced:	N2O4C27H36 (1)
Stoich.:	A2B4C27D36 (1)
Weight, g/mol:	431.187878
ΔH_f, kcal/mol:	-136.25
Dipole, Da:	5.54
IP(EA), eV:	-8.59(0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CC2CCN(CC2)CC(=O)N3CCCC3C4=C(C=C(C=C4)OC)OC

DOS

IR

Vibrations