Geometry & MOs

Info

ID:	383861
PubChem CID:	134975873
Reduced:	OC7H10 (2)
Stoich.:	AB7C10 (2)
Weight, g/mol:	224.214016
ΔH_f, kcal/mol:	-65.49
Dipole, Da:	2.52
IP(EA), eV:	-9.92(0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(R)-[(2S)-2-butylcyclopropyl]-methoxymethyl]cyclohexane

Drug info:

PubChemData

Smile

CCC[C@@H]1CC[C@]23C=C[C@H](O2)C(=C)[C@@H]3[C@H]1O

DOS

IR

Vibrations