Geometry & MOs

Info

ID:	225427
PubChem CID:	85786785
Reduced:	OC13H14 (1)
Stoich.:	AB13C14 (1)
Weight, g/mol:	400.076363
ΔH_f, kcal/mol:	-8.86
Dipole, Da:	3.9
IP(EA), eV:	-9.48(0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methoxy-4-[2,2,2-trichloro-1-(4-pentoxyphenyl)ethyl]benzene

Drug info:

PubChemData

Smile

CC12CCC(=O)C1C2C3=CC=CC=C3

DOS

IR

Vibrations