Geometry & MOs

Info

ID:	293651
PubChem CID:	117395195
Reduced:	ClO3C13H17 (1)
Stoich.:	AB3C13D17 (1)
Weight, g/mol:	256.086622
ΔH_f, kcal/mol:	-102.99
Dipole, Da:	1.88
IP(EA), eV:	-8.73(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-chloro-2-ethyl-3,4-dimethoxyphenyl)cyclopropan-1-ol

Drug info:

PubChemData

Smile

CC1=C(C(=CC(=C1CC2(CC2)O)Cl)OC)OC

DOS

IR

Vibrations