Geometry & MOs

Info

ID:	46085
PubChem CID:	10521383
Reduced:	O4C21H28 (1)
Stoich.:	A4B21C28 (1)
Weight, g/mol:	344.235145
ΔH_f, kcal/mol:	-107.18
Dipole, Da:	4.0
IP(EA), eV:	-9.06(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2S,5R)-1-[4-[(4-methoxyphenyl)methoxy]but-1-ynyl]-5-methyl-2-propan-2-ylcyclohexan-1-ol

Drug info:

PubChemData

Smile

C[C@@H]1CC[C@H]2CCO[C@H]3[C@@]24[C@H]1CC[C@](O3)(OO4)CCC5=CC=CC=C5

DOS

IR

Vibrations