Geometry & MOs

Info

ID:	34203
PubChem CID:	7890273
Reduced:	N3O5C15H15 (1)
Stoich.:	A3B5C15D15 (1)
Weight, g/mol:	358.116486
ΔH_f, kcal/mol:	-86.22
Dipole, Da:	7.26
IP(EA), eV:	-9.18(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] 3-hydroxybenzoate

Drug info:

PubChemData

Smile

COC1=CC=CC=C1CNC(=O)CN2C=C(C=CC2=O)[N+](=O)[O-]

DOS

IR

Vibrations