Geometry & MOs

Info

ID:	261096
PubChem CID:	103217154
Reduced:	ClIOC11H12 (1)
Stoich.:	ABCD11E12 (1)
Weight, g/mol:	375.98394
ΔH_f, kcal/mol:	-14.52
Dipole, Da:	2.69
IP(EA), eV:	-9.54(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-chloro-4-iodophenyl)-3-(2-methylpyrazol-3-yl)propan-1-ol

Drug info:

PubChemData

Smile

C1CC(C1)C(C2=CC(=C(C=C2)I)Cl)O

DOS

IR

Vibrations