Geometry & MOs

Info

ID:	206096
PubChem CID:	80202377
Reduced:	BrN2C16H19 (1)
Stoich.:	AB2C16D19 (1)
Weight, g/mol:	287.132157
ΔH_f, kcal/mol:	36.94
Dipole, Da:	3.53
IP(EA), eV:	-9.22(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(benzylamino)-2-(3-fluoro-4-methylphenyl)propanoic acid

Drug info:

PubChemData

Smile

CCNC(C1=CC(=CC(=C1)C)C)C2=CC(=CN=C2)Br

DOS

IR

Vibrations