Geometry & MOs

Info

ID:	294873
PubChem CID:	117501720
Reduced:	BrNO3C13H18 (1)
Stoich.:	ABC3D13E18 (1)
Weight, g/mol:	315.04701
ΔH_f, kcal/mol:	-99.29
Dipole, Da:	4.31
IP(EA), eV:	-9.28(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-2-(5-bromo-2-methoxy-6-methyl-3-propan-2-ylphenyl)acetic acid

Drug info:

PubChemData

Smile

CCC1=CC(=C(C(=C1OC)Br)OC)C(=O)CCN

DOS

IR

Vibrations