Geometry & MOs

Info

ID:	380261
PubChem CID:	134970649
Reduced:	BrO3C17H19 (1)
Stoich.:	AB3C17D19 (1)
Weight, g/mol:	240.20893
ΔH_f, kcal/mol:	-116.97
Dipole, Da:	4.22
IP(EA), eV:	-9.36(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2R)-1-ethenyl-1-hexyl-2-(methoxymethoxymethyl)-3-methylcyclopropane

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)CC2=C(C(CCC2=O)C(=O)OC)C)Br

DOS

IR

Vibrations