Geometry & MOs

Info

ID:	20292
PubChem CID:	582960
Reduced:	NOC5H5 (2)
Stoich.:	ABC5D5 (2)
Weight, g/mol:	190.074228
ΔH_f, kcal/mol:	-23.3
Dipole, Da:	5.11
IP(EA), eV:	-9.03(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(3-hydroxy-2-oxopropyl)amino]benzonitrile

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations