Geometry & MOs

Info

ID:	186148
PubChem CID:	77396307
Reduced:	BrFN2O3C21H26 (1)
Stoich.:	ABC2D3E21F26 (1)
Weight, g/mol:	203.094629
ΔH_f, kcal/mol:	-170.13
Dipole, Da:	3.99
IP(EA), eV:	-9.74(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-2-(1,2-dihydronaphthalen-1-yl)acetic acid

Drug info:

PubChemData

Smile

C1CC(N(C1)C(=O)OCC2=CC=CC=C2)C3C(C(=O)C4CCC(CC4N3)Br)F

DOS

IR

Vibrations