Geometry & MOs

Info

ID:	294815
PubChem CID:	117498172
Reduced:	BrN2O3C12H13 (1)
Stoich.:	AB2C3D12E13 (1)
Weight, g/mol:	312.03611
ΔH_f, kcal/mol:	-33.46
Dipole, Da:	6.56
IP(EA), eV:	-8.51(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-bromo-5-methoxy-2-methylphenyl)-3-cyclopropylpropanoic acid

Drug info:

PubChemData

Smile

CC1=C(C(=C(C=C1C2=NOC(=C2)N)OC)OC)Br

DOS

IR

Vibrations