Geometry & MOs

Info

ID:	295026
PubChem CID:	117512086
Reduced:	BrNO4C13H18 (1)
Stoich.:	ABC4D13E18 (1)
Weight, g/mol:	331.04192
ΔH_f, kcal/mol:	-155.82
Dipole, Da:	5.98
IP(EA), eV:	-9.13(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-4-(2-bromo-3,6-dimethoxy-4-methylphenyl)butanoic acid

Drug info:

PubChemData

Smile

CC(C)OC1=C(C=CC(=C1CC(C(=O)O)N)Br)OC

DOS

IR

Vibrations