Geometry & MOs

Info

ID:	141017
PubChem CID:	52802793
Reduced:	OSN3C20H27 (1)
Stoich.:	ABC3D20E27 (1)
Weight, g/mol:	387.198048
ΔH_f, kcal/mol:	-8.68
Dipole, Da:	3.18
IP(EA), eV:	-8.98(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(4-methoxyphenyl)ethyl]-3-[[(3R)-1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]urea

Drug info:

PubChemData

Smile

C1C[C@H](CN(C1)CC2=CC=CS2)CNC(=O)NCCC3=CC=CC=C3

DOS

IR

Vibrations