Geometry & MOs

Info

ID:	151292
PubChem CID:	53801002
Reduced:	NO2C12H13 (1)
Stoich.:	AB2C12D13 (1)
Weight, g/mol:	246.121572
ΔH_f, kcal/mol:	-62.68
Dipole, Da:	5.07
IP(EA), eV:	-8.48(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methyl-1,3-diazinan-2-one

Drug info:

PubChemData

Smile

CC1C(=CC2=CC=CC(=C2N1)C)C(=O)O

DOS

IR

Vibrations