Geometry & MOs

Info

ID:	294939
PubChem CID:	117506240
Reduced:	BrN2O2C14H15 (1)
Stoich.:	AB2C2D14E15 (1)
Weight, g/mol:	323.01571
ΔH_f, kcal/mol:	-33.42
Dipole, Da:	1.55
IP(EA), eV:	-9.5(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-3-(6-bromo-2-methoxynaphthalen-1-yl)propanoic acid

Drug info:

PubChemData

Smile

CC(C)(CC1=CC(=C(C=C1)N2C=CC=N2)Br)C(=O)O

DOS

IR

Vibrations