Geometry & MOs

Info

ID:	347385
PubChem CID:	127272234
Reduced:	SN2O4C19H20 (1)
Stoich.:	AB2C4D19E20 (1)
Weight, g/mol:	317.173942
ΔH_f, kcal/mol:	-118.42
Dipole, Da:	2.1
IP(EA), eV:	-8.42(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CSC1=CC2=C(C=C1NC(=O)N[C@@H]3[C@@H](CC4=CC=CC=C34)O)OCCO2

DOS

IR

Vibrations