Geometry & MOs

Info

ID:	352082
PubChem CID:	127283150
Reduced:	O2N3C20H31 (1)
Stoich.:	A2B3C20D31 (1)
Weight, g/mol:	335.151492
ΔH_f, kcal/mol:	-100.93
Dipole, Da:	1.97
IP(EA), eV:	-8.83(0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(4-hydroxyoxan-4-yl)methyl]-3-(1-methylsulfonylpiperidin-3-yl)urea

Drug info:

PubChemData

Smile

CC(C1=CC=CC=C1)N2CCC(C2)NC(=O)NCC3(CCCCC3)O

DOS

IR

Vibrations