Geometry & MOs

Info

ID:	139768
PubChem CID:	52592181
Reduced:	O2N4C20H29 (1)
Stoich.:	A2B4C20D29 (1)
Weight, g/mol:	323.199762
ΔH_f, kcal/mol:	-24.33
Dipole, Da:	1.62
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.889317
Charge, e:	0

Chem-info

IUPAC name:

1-[(1R)-1-phenylethyl]-3-(4-piperidin-1-ylphenyl)urea

Drug info:

PubChemData

Smile

C[NH+](C)[C@H](CNC(=O)NC1=CC=C(C=C1)N2CCCCC2)C3=CC=CO3

DOS

IR

Vibrations