Geometry & MOs

Info

ID:	219767
PubChem CID:	85164875
Reduced:	O5C16H25 (2)
Stoich.:	A5B16C25 (2)
Weight, g/mol:	594.30128
ΔH_f, kcal/mol:	-409.23
Dipole, Da:	13.45
IP(EA), eV:	-9.29(-2.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-methyl-4-phenylmethoxy-2-[(1,4,5,8-tetramethoxy-7-trimethylsilylnaphthalen-2-yl)methyl]cyclohexane-1-carboxylate

Drug info:

PubChemData

Smile

CCC1C(CC(CC(CCCC(CC(C(C(C=CC=CC=CC=CC=CC(C(OC1=O)C)C)O)C(=O)O)O)O)O)O)O

DOS

IR

Vibrations