Geometry & MOs

Info

ID:	405210
PubChem CID:	135073042
Reduced:	NPO5C18H28 (1)
Stoich.:	ABC5D18E28 (1)
Weight, g/mol:	230.167065
ΔH_f, kcal/mol:	-265.53
Dipole, Da:	3.15
IP(EA), eV:	-9.65(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1S,2S,3R)-2-(methoxymethyl)-1-methyl-3-prop-2-enylcyclopropyl]methylbenzene

Drug info:

PubChemData

Smile

CCOP(=O)(/C(=C/C(C)(C)C)/NC(=O)OCC1=CC=CC=C1)OCC

DOS

IR

Vibrations