Geometry & MOs

Info

ID:	204737
PubChem CID:	80002055
Reduced:	N2O4C15H18 (1)
Stoich.:	A2B4C15D18 (1)
Weight, g/mol:	292.142307
ΔH_f, kcal/mol:	-153.04
Dipole, Da:	4.95
IP(EA), eV:	-8.64(0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[(3,5-dimethylphenyl)carbamoylamino]methyl]oxolane-2-carboxylic acid

Drug info:

PubChemData

Smile

C1CC(OC1CNC(=O)N2CCC3=CC=CC=C32)C(=O)O

DOS

IR

Vibrations