Geometry & MOs

Info

ID:	294053
PubChem CID:	117425442
Reduced:	ClO3C14H17 (1)
Stoich.:	AB3C14D17 (1)
Weight, g/mol:	268.086622
ΔH_f, kcal/mol:	-127.21
Dipole, Da:	1.54
IP(EA), eV:	-9.58(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-chloro-4-(cyclopropylmethoxy)-5-methoxyphenyl]cyclopropan-1-ol

Drug info:

PubChemData

Smile

COCC1=C(C=C(C=C1)Cl)C2(CCCC2)C(=O)O

DOS

IR

Vibrations