Geometry & MOs

Info

ID:	347468
PubChem CID:	127272323
Reduced:	SO2N3C15H23 (1)
Stoich.:	AB2C3D15E23 (1)
Weight, g/mol:	331.225977
ΔH_f, kcal/mol:	-74.03
Dipole, Da:	3.42
IP(EA), eV:	-9.4(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-[(1-propylpiperidin-4-yl)methyl]urea

Drug info:

PubChemData

Smile

C1CN(CCC1C2=NC=CS2)C(=O)NCC3CCOCC3

DOS

IR

Vibrations