Geometry & MOs

Info

ID:	380271
PubChem CID:	134970671
Reduced:	BrO3C22H23 (1)
Stoich.:	AB3C22D23 (1)
Weight, g/mol:	240.20893
ΔH_f, kcal/mol:	-71.53
Dipole, Da:	4.85
IP(EA), eV:	-8.47(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2R)-1-hexyl-2-(methoxymethoxymethyl)-1-[(Z)-prop-1-enyl]cyclopropane

Drug info:

PubChemData

Smile

CC1=C(C(=O)CCC1)CC2=CC(=C(C=C2Br)OCC3=CC=CC=C3)OC

DOS

IR

Vibrations