Geometry & MOs

Info

ID:	22413
PubChem CID:	597167
Reduced:	N2O5C10H12 (1)
Stoich.:	A2B5C10D12 (1)
Weight, g/mol:	240.074621
ΔH_f, kcal/mol:	-108.59
Dipole, Da:	7.37
IP(EA), eV:	-10.22(-1.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-3-methoxy-3-(4-nitrophenyl)propanoic acid

Drug info:

PubChemData

Smile

COC(C1=CC=C(C=C1)[N+](=O)[O-])C(C(=O)O)N

DOS

IR

Vibrations