Geometry & MOs

Info

ID:	206348
PubChem CID:	80235890
Reduced:	N3O4C12H21 (1)
Stoich.:	A3B4C12D21 (1)
Weight, g/mol:	266.126657
ΔH_f, kcal/mol:	-190.49
Dipole, Da:	3.92
IP(EA), eV:	-9.56(0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(2,2,4-trimethyl-3-oxopiperazin-1-yl)methyl]furan-3-carboxylic acid

Drug info:

PubChemData

Smile

CC(=O)NC(CN1CCN(C(=O)C1(C)C)C)C(=O)O

DOS

IR

Vibrations