Geometry & MOs

Info

ID:	143072
PubChem CID:	53142313
Reduced:	ClOSN4H21C22 (1)
Stoich.:	ABCD4E21F22 (1)
Weight, g/mol:	392.196074
ΔH_f, kcal/mol:	28.22
Dipole, Da:	8.61
IP(EA), eV:	-8.88(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclopentyl-2-[8-(3,4-dihydro-1H-isoquinolin-2-yl)-3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]acetamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)Cl)NC(=O)CSC2=NC=CC(=N2)N3CCC4=CC=CC=C4C3

DOS

IR

Vibrations