Geometry & MOs

Info

ID:	187910
PubChem CID:	77642141
Reduced:	NO3H17C19 (1)
Stoich.:	AB3C17D19 (1)
Weight, g/mol:	464.20597
ΔH_f, kcal/mol:	-42.72
Dipole, Da:	3.78
IP(EA), eV:	-8.39(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-[5-[4-methoxy-3-(oxolan-3-yloxy)phenyl]pyrazol-1-yl]phenyl]piperazine-1-carboxylic acid

Drug info:

PubChemData

Smile

COC1=CC=C(C2=CC=CC=C21)C3CC(=O)C4=COC=CC4N3

DOS

IR

Vibrations