Geometry & MOs

Info

ID:	228306
PubChem CID:	87563875
Reduced:	O2N3H15C22 (1)
Stoich.:	A2B3C15D22 (1)
Weight, g/mol:	274.027583
ΔH_f, kcal/mol:	104.17
Dipole, Da:	5.25
IP(EA), eV:	-8.5(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(dichloroamino)-3-hydroxyphenyl]-[(2S)-pyrrolidin-2-yl]methanone

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C#CC2=CC3=C(C=C2)NC=C3)C4=NC=CC(=C4)C(=O)NO

DOS

IR

Vibrations