Geometry & MOs

Info

ID:	2351
PubChem CID:	6982
Reduced:	ClOC10H13 (1)
Stoich.:	ABC10D13 (1)
Weight, g/mol:	184.065493
ΔH_f, kcal/mol:	-59.64
Dipole, Da:	1.84
IP(EA), eV:	-8.8(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-5-methyl-2-propan-2-ylphenol

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1Cl)C(C)C)O

DOS

IR

Vibrations