Geometry & MOs

Info

ID:	20291
PubChem CID:	582959
Reduced:	N2O3C11H12 (1)
Stoich.:	A2B3C11D12 (1)
Weight, g/mol:	220.084792
ΔH_f, kcal/mol:	-72.13
Dipole, Da:	6.51
IP(EA), eV:	-8.88(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(3,4-dihydroxy-2-oxobutyl)amino]benzonitrile

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C#N)NCC(=O)C(CO)O

DOS

IR

Vibrations