Geometry & MOs

Info

ID:	328221
PubChem CID:	126699472
Reduced:	SF5O7C17H19 (1)
Stoich.:	AB5C7D17E19 (1)
Weight, g/mol:	190.135765
ΔH_f, kcal/mol:	-541.1
Dipole, Da:	4.53
IP(EA), eV:	-10.75(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(methoxymethyl)-4-[(2-methylcyclopropyl)methyl]benzene

Drug info:

PubChemData

Smile

CC(=C)C(=O)OC12CC3CC(C1)[C@](C3)(C2)C(=O)OC(C(F)(F)F)C(F)(F)S(=O)(=O)O

DOS

IR

Vibrations