Geometry & MOs

Info

ID:	294816
PubChem CID:	117498275
Reduced:	BrO3C14H17 (1)
Stoich.:	AB3C14D17 (1)
Weight, g/mol:	312.03611
ΔH_f, kcal/mol:	-103.53
Dipole, Da:	4.19
IP(EA), eV:	-9.14(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-bromo-2-methoxy-3,5-dimethylphenyl)cyclobutane-1-carboxylic acid

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1Br)OC)C(CC(=O)O)C2CC2

DOS

IR

Vibrations