Geometry & MOs

Info

ID:	405539
PubChem CID:	135074328
Reduced:	IC13H21 (1)
Stoich.:	AB13C21 (1)
Weight, g/mol:	542.162679
ΔH_f, kcal/mol:	22.12
Dipole, Da:	2.7
IP(EA), eV:	-9.53(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-3-[(E)-5-[2,4-bis[(4-chlorophenoxy)methoxy]phenyl]-3-methylpent-3-enyl]-2,2-dimethyloxirane

Drug info:

PubChemData

Smile

CCCCC#CCCCC(CC=C)I

DOS

IR

Vibrations