Geometry & MOs

Info

ID:	392039
PubChem CID:	135012138
Reduced:	O5C18H20 (1)
Stoich.:	A5B18C20 (1)
Weight, g/mol:	246.198365
ΔH_f, kcal/mol:	-150.8
Dipole, Da:	6.51
IP(EA), eV:	-8.61(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1S,2R,4R)-2-methoxy-4-methylcyclohexyl]propan-2-ylbenzene

Drug info:

PubChemData

Smile

COC1=C(C(=C(C=C1)OC)C2=C(C=CC=C2O)O)COCC=C

DOS

IR

Vibrations