Geometry & MOs

Info

ID:	437159
PubChem CID:	135215327
Reduced:	OC4H7 (2)
Stoich.:	AB4C7 (2)
Weight, g/mol:	394.214409
ΔH_f, kcal/mol:	-85.78
Dipole, Da:	2.09
IP(EA), eV:	-8.12(1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[4-[3-methyl-1-[4-(oxiran-2-ylmethoxy)phenyl]cyclohexyl]phenoxy]methyl]oxirane

Drug info:

PubChemData

Smile

CC1=C(OCCCC1)OC

DOS

IR

Vibrations