Geometry & MOs

Info

ID:	293103
PubChem CID:	117374002
Reduced:	O3C15H20 (1)
Stoich.:	A3B15C20 (1)
Weight, g/mol:	248.141244
ΔH_f, kcal/mol:	-130.12
Dipole, Da:	5.58
IP(EA), eV:	-9.47(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[4-(cyclopropylmethoxy)-3-methoxyphenyl]methyl]cyclopropan-1-ol

Drug info:

PubChemData

Smile

CC(CC1=CC=CC=C1C2CCOCC2)C(=O)O

DOS

IR

Vibrations