Geometry & MOs

Info

ID:	175267
PubChem CID:	75876734
Reduced:	ON4C24H33 (1)
Stoich.:	AB4C24D33 (1)
Weight, g/mol:	392.257612
ΔH_f, kcal/mol:	1.21
Dipole, Da:	4.4
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.115166
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCN(CC1)C2=CC=CC=C2NC(=O)NCC(C3=CC=CC=C3)[NH+]4CCCC4

DOS

IR

Vibrations