Geometry & MOs

Info

ID:	355961
PubChem CID:	127290951
Reduced:	SN3O3C15H27 (1)
Stoich.:	AB3C3D15E27 (1)
Weight, g/mol:	317.210327
ΔH_f, kcal/mol:	-137.52
Dipole, Da:	3.06
IP(EA), eV:	-8.76(0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(oxan-3-yl)-3-[1-(1-phenylethyl)pyrrolidin-3-yl]urea

Drug info:

PubChemData

Smile

C1CC(COC1)NC(=O)NCC2(CCSC2)N3CCOCC3

DOS

IR

Vibrations