Geometry & MOs

Info

ID:	294200
PubChem CID:	117434683
Reduced:	ClFON2C13H18 (1)
Stoich.:	ABCD2E13F18 (1)
Weight, g/mol:	272.117922
ΔH_f, kcal/mol:	-85.47
Dipole, Da:	4.24
IP(EA), eV:	-8.95(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(5-chloro-3,4-dimethoxy-2-propan-2-ylphenyl)propan-1-ol

Drug info:

PubChemData

Smile

CC1=C(C(=C(C=C1F)Cl)O)CCN2CCNCC2

DOS

IR

Vibrations