Geometry & MOs

Info

ID:	159512
PubChem CID:	57288291
Reduced:	FN4O4C27H31 (1)
Stoich.:	AB4C4D27E31 (1)
Weight, g/mol:	142.037842
ΔH_f, kcal/mol:	-137.96
Dipole, Da:	8.39
IP(EA), eV:	-9.26(-1.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-2-cyano-4-oxobutanoic acid

Drug info:

PubChemData

Smile

C1CCC(CC1)C(CC(C(CC2=CC(=CC=C2)F)NC(=O)C3=NC4=CC=CC=C4N=C3)O)C(=O)NO

DOS

IR

Vibrations