Geometry & MOs

Info

ID:	27404
PubChem CID:	821173
Reduced:	NO3C11H13 (1)
Stoich.:	AB3C11D13 (1)
Weight, g/mol:	207.089543
ΔH_f, kcal/mol:	-116.83
Dipole, Da:	6.18
IP(EA), eV:	-9.81(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-(N-acetylanilino)propanoic acid

Drug info:

PubChemData

Smile

C[C@@H](C(=O)O)N(C1=CC=CC=C1)C(=O)C

DOS

IR

Vibrations