Geometry & MOs

Info

ID:	187532
PubChem CID:	77585689
Reduced:	O4N5C22H25 (1)
Stoich.:	A4B5C22D25 (1)
Weight, g/mol:	336.132136
ΔH_f, kcal/mol:	-78.57
Dipole, Da:	2.31
IP(EA), eV:	-9.34(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(2,3-dihydro-1-benzofuran-5-yloxy)ethyl]piperazine-1,4-dicarboxylic acid

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=C3C(=NC=N2)N(C=N3)C4C(=C)C(C(O4)CO)O

DOS

IR

Vibrations