Geometry & MOs

Info

ID:	26333
PubChem CID:	644634
Reduced:	FN3O5C21H22 (1)
Stoich.:	AB3C5D21E22 (1)
Weight, g/mol:	325.15904
ΔH_f, kcal/mol:	-158.72
Dipole, Da:	2.2
IP(EA), eV:	-8.92(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[benzyl-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]amino]ethanol

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CN(CCO)CC2=C(NN=C2)C3=CC=C(C=C3)F.C(=O)(C(=O)O)O

DOS

IR

Vibrations