Geometry & MOs

Info

ID:	295091
PubChem CID:	117516644
Reduced:	BrNO4C14H18 (1)
Stoich.:	ABC4D14E18 (1)
Weight, g/mol:	343.04192
ΔH_f, kcal/mol:	-143.34
Dipole, Da:	6.72
IP(EA), eV:	-9.04(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-4-(5-bromo-2-cyclopropyloxy-3-methoxyphenyl)butanoic acid

Drug info:

PubChemData

Smile

CC1=C(C(=CC(=C1OC)Br)C2CC(CN2)C(=O)O)OC

DOS

IR

Vibrations