Geometry & MOs

Info

ID:	362767
PubChem CID:	127309315
Reduced:	O2N3C21H29 (1)
Stoich.:	A2B3C21D29 (1)
Weight, g/mol:	339.20591
ΔH_f, kcal/mol:	-94.97
Dipole, Da:	8.74
IP(EA), eV:	-8.81(0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-propan-2-yl-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

C1CCN(C1)C(=O)C2CCCN(C2)C(=O)NC3CCC4=CC=CC=C4C3

DOS

IR

Vibrations