Geometry & MOs

Info

ID:	258629
PubChem CID:	103155798
Reduced:	N2O4C11H22 (1)
Stoich.:	A2B4C11D22 (1)
Weight, g/mol:	288.092163
ΔH_f, kcal/mol:	-194.74
Dipole, Da:	6.03
IP(EA), eV:	-9.4(0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-amino-3-methoxybutanoyl)amino]-4,5-difluorobenzoic acid

Drug info:

PubChemData

Smile

CCN(CC(C)C(=O)O)C(=O)CC(CN)OC

DOS

IR

Vibrations