Geometry & MOs

Info

ID:	293652
PubChem CID:	117395211
Reduced:	ClO3C13H17 (1)
Stoich.:	AB3C13D17 (1)
Weight, g/mol:	256.086622
ΔH_f, kcal/mol:	-97.94
Dipole, Da:	2.93
IP(EA), eV:	-8.9(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-chloro-3-ethyl-5,6-dimethoxyphenyl)cyclopropan-1-ol

Drug info:

PubChemData

Smile

CCC1=C(C(=C(C=C1C2(CC2)O)Cl)OC)OC

DOS

IR

Vibrations