Geometry & MOs

Info

ID:	144453
PubChem CID:	53370205
Reduced:	ClN2O3H13C16 (1)
Stoich.:	AB2C3D13E16 (1)
Weight, g/mol:	396.190989
ΔH_f, kcal/mol:	-11.01
Dipole, Da:	3.5
IP(EA), eV:	-8.33(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(4-carbamoylanilino)-1-oxopropan-2-yl]-4-pyridin-2-ylpiperazine-1-carboxamide

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)CNC2=C(C(=O)C2=O)NCC3=CC=CO3)Cl

DOS

IR

Vibrations