Geometry & MOs

Info

ID:	175266
PubChem CID:	75876733
Reduced:	OSN4C22H30 (1)
Stoich.:	ABC4D22E30 (1)
Weight, g/mol:	393.265437
ΔH_f, kcal/mol:	-3.79
Dipole, Da:	3.41
IP(EA), eV:	-8.52(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1-(2-phenyl-2-pyrrolidin-1-ium-1-ylethyl)-3-(2-piperidin-1-ylphenyl)urea

Drug info:

PubChemData

Smile

C1CCN(CC1)C2=CC=CC=C2NC(=O)NCC(C3=CC=CS3)N4CCCC4

DOS

IR

Vibrations