Geometry & MOs

Info

ID:	227560
PubChem CID:	87561986
Reduced:	NOC6H9 (2)
Stoich.:	ABC6D9 (2)
Weight, g/mol:	439.240582
ΔH_f, kcal/mol:	-1.13
Dipole, Da:	4.3
IP(EA), eV:	-9.17(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[4-[1-(2-phenylethyl)piperidin-4-yl]piperazin-1-yl]phenyl]-1-sulfanylurea

Drug info:

PubChemData

Smile

CC(CCCNC)(C1=CC=CC=C1)[N+](=O)[O-]

DOS

IR

Vibrations