Geometry & MOs

Info

ID:	27286
PubChem CID:	820250
Reduced:	NCl2H9C11 (1)
Stoich.:	AB2C9D11 (1)
Weight, g/mol:	207.125929
ΔH_f, kcal/mol:	18.94
Dipole, Da:	2.93
IP(EA), eV:	-9.46(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (2S)-2-amino-4-phenylbutanoate

Drug info:

PubChemData

Smile

CC1=CC2=NC(=C(C=C2C=C1)CCl)Cl

DOS

IR

Vibrations