Geometry & MOs

Info

ID:	362764
PubChem CID:	127309312
Reduced:	ON5C21H27 (1)
Stoich.:	AB5C21D27 (1)
Weight, g/mol:	297.15896
ΔH_f, kcal/mol:	7.11
Dipole, Da:	5.28
IP(EA), eV:	-8.31(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)C(=CN2)CCNC(=O)N3CCCC(C3)N4C=C(C=N4)C

DOS

IR

Vibrations