Geometry & MOs

Info

ID:	372279
PubChem CID:	131295445
Reduced:	ClN2C10H11 (1)
Stoich.:	AB2C10D11 (1)
Weight, g/mol:	257.00514
ΔH_f, kcal/mol:	25.06
Dipole, Da:	4.08
IP(EA), eV:	-8.92(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-amino-2-(2-bromophenyl)butanoic acid

Drug info:

PubChemData

Smile

CCC1=C(C(=C(C=C1)Cl)CC#N)N

DOS

IR

Vibrations