Geometry & MOs

Info

ID:	45874
PubChem CID:	10518501
Reduced:	SiO3C16H34 (1)
Stoich.:	AB3C16D34 (1)
Weight, g/mol:	302.070972
ΔH_f, kcal/mol:	-234.14
Dipole, Da:	2.26
IP(EA), eV:	-9.18(1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-[(4-chlorophenyl)-hydroxymethoxy]-3,4-dihydro-2H-naphthalen-1-one

Drug info:

PubChemData

Smile

CC[Si](CC)(CC)OC[C@@H]1CC[C@H](O1)CCCCCO

DOS

IR

Vibrations