Geometry & MOs

Info

ID:	176462
PubChem CID:	76052012
Reduced:	ClN3O4C14H18 (1)
Stoich.:	AB3C4D14E18 (1)
Weight, g/mol:	342.169191
ΔH_f, kcal/mol:	-164.94
Dipole, Da:	3.87
IP(EA), eV:	-9.62(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclopropyl-N-(2,3-dihydro-1H-inden-2-yl)-3-(3,5-dioxo-1,2,4-triazinan-6-yl)propanamide

Drug info:

PubChemData

Smile

CC(C(=O)OC)NC(=O)CNC(=O)NCC1=CC=C(C=C1)Cl

DOS

IR

Vibrations