Geometry & MOs

Info

ID:	166353
PubChem CID:	74675907
Reduced:	NO4C13H16 (1)
Stoich.:	AB4C13D16 (1)
Weight, g/mol:	310.168615
ΔH_f, kcal/mol:	-152.37
Dipole, Da:	2.33
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.754361
Charge, e:	1

Chem-info

IUPAC name:

1-(3-chlorophenyl)-3-[3-(2-methylpiperidin-1-ium-1-yl)propyl]urea

Drug info:

PubChemData

Smile

CCCC(C(=O)[O-])NC(=O)OCC1=CC=CC=C1

DOS

IR

Vibrations