Geometry & MOs

Info

ID:	187530
PubChem CID:	77585318
Reduced:	F2N4O5C31H38 (1)
Stoich.:	A2B4C5D31E38 (1)
Weight, g/mol:	316.153541
ΔH_f, kcal/mol:	-255.11
Dipole, Da:	5.57
IP(EA), eV:	-9.03(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-(4-pyrazol-1-ylphenoxy)ethyl]piperazine-1-carboxylic acid

Drug info:

PubChemData

Smile

COCC1(CCCCC1N2C=NC(=C2C3=CC=CC=C3)C(=O)N4CCNCC4CCOC5=CC(=CC=C5)OC(F)F)O

DOS

IR

Vibrations