Geometry & MOs

Info

ID:	206346
PubChem CID:	80235888
Reduced:	N2O3C15H20 (1)
Stoich.:	A2B3C15D20 (1)
Weight, g/mol:	280.142307
ΔH_f, kcal/mol:	-108.55
Dipole, Da:	4.64
IP(EA), eV:	-9.26(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1(C(=O)N(CCN1CC2=CC=C(C=C2)C(=O)O)C)C

DOS

IR

Vibrations