Geometry & MOs

Info

ID:	295138
PubChem CID:	117518313
Reduced:	BrO3C17H21 (1)
Stoich.:	AB3C17D21 (1)
Weight, g/mol:	352.06741
ΔH_f, kcal/mol:	-108.06
Dipole, Da:	6.0
IP(EA), eV:	-9.31(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-bromo-2-(cyclopropylmethoxy)phenyl]cyclohexane-1-carboxylic acid

Drug info:

PubChemData

Smile

CC(=C)COC1=C(C=C(C=C1)C2(CCCCC2)C(=O)O)Br

DOS

IR

Vibrations