Geometry & MOs

Info

ID:	294059
PubChem CID:	117425595
Reduced:	ClO2C15H21 (1)
Stoich.:	AB2C15D21 (1)
Weight, g/mol:	268.123008
ΔH_f, kcal/mol:	-100.77
Dipole, Da:	3.09
IP(EA), eV:	-8.85(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(5-tert-butyl-3-chloro-2-methoxyphenyl)methyl]cyclopropan-1-ol

Drug info:

PubChemData

Smile

CC(CO)C1=CC(=C(C(=C1)Cl)OC)C2CCCC2

DOS

IR

Vibrations