Geometry & MOs

Info

ID:	323676
PubChem CID:	126675716
Reduced:	ON9C21H21 (1)
Stoich.:	AB9C21D21 (1)
Weight, g/mol:	328.00726
ΔH_f, kcal/mol:	144.0
Dipole, Da:	4.49
IP(EA), eV:	-8.26(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-iodopyrazol-1-yl)-3-phenylpropan-1-ol

Drug info:

PubChemData

Smile

CC1=CN=CC(=N1)OC2=CC=CC(=C2)CN3C=C(C=N3)CC4=CC(=NC5=C4NNN5)N

DOS

IR

Vibrations