Geometry & MOs

Info

ID:	362704
PubChem CID:	127309138
Reduced:	ClON4C19H23 (1)
Stoich.:	ABC4D19E23 (1)
Weight, g/mol:	265.153875
ΔH_f, kcal/mol:	-5.89
Dipole, Da:	1.72
IP(EA), eV:	-9.09(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(oxan-2-ylmethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide

Drug info:

PubChemData

Smile

CC1=CN(N=C1)C2CCCN(C2)C(=O)NC3CCC4=C3C=CC=C4Cl

DOS

IR

Vibrations