Geometry & MOs

Info

ID:	347440
PubChem CID:	127272289
Reduced:	OSN5C15H19 (1)
Stoich.:	ABC5D15E19 (1)
Weight, g/mol:	292.142307
ΔH_f, kcal/mol:	15.94
Dipole, Da:	4.06
IP(EA), eV:	-9.47(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NC=CC(=N1)CNC(=O)N2CCC(CC2)C3=NC=CS3

DOS

IR

Vibrations