Geometry & MOs

Info

ID:	237111
PubChem CID:	92717380
Reduced:	ON3C21H31 (1)
Stoich.:	AB3C21D31 (1)
Weight, g/mol:	321.16079
ΔH_f, kcal/mol:	-55.05
Dipole, Da:	4.33
IP(EA), eV:	-8.68(0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-chlorophenyl)-3-[[(3R)-1-cyclopentylpyrrolidin-3-yl]methyl]urea

Drug info:

PubChemData

Smile

C1CCC(C1)N2CC[C@@H](C2)CNC(=O)NC3=CC=CC4=C3CCCC4

DOS

IR

Vibrations