Geometry & MOs

Info

ID:	295175
PubChem CID:	117520320
Reduced:	BrO4C17H21 (1)
Stoich.:	AB4C17D21 (1)
Weight, g/mol:	368.06232
ΔH_f, kcal/mol:	-147.99
Dipole, Da:	6.52
IP(EA), eV:	-9.06(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-bromo-5-(cyclopropylmethoxy)-4-methoxyphenyl]-3-cyclopropylpropanoic acid

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1OC2CCC2)C3(CCCC3)C(=O)O)Br

DOS

IR

Vibrations