Geometry & MOs

Info

ID:	261095
PubChem CID:	103217146
Reduced:	ClIN2O2C14H16 (1)
Stoich.:	ABC2D2E14F16 (1)
Weight, g/mol:	321.96214
ΔH_f, kcal/mol:	-20.02
Dipole, Da:	2.64
IP(EA), eV:	-8.9(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-chloro-4-iodophenyl)-cyclobutylmethanol

Drug info:

PubChemData

Smile

CC(C)N1C(=C(C=N1)OC)C(C2=CC(=C(C=C2)I)Cl)O

DOS

IR

Vibrations