Geometry & MOs

Info

ID:	443751
PubChem CID:	135259913
Reduced:	N2O2C19H30 (1)
Stoich.:	A2B2C19D30 (1)
Weight, g/mol:	256.142307
ΔH_f, kcal/mol:	-89.89
Dipole, Da:	7.03
IP(EA), eV:	-8.77(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,5-dimethyl-4-(oxolane-2-carbonyl)piperazine-1-carboxylic acid

Drug info:

PubChemData

Smile

C[C@@H]1CN(C[C@@H](N1CC2=CC=C(C=C2)C(=O)O)C)CCC(C)C

DOS

IR

Vibrations