Geometry & MOs

Info

ID:	362647
PubChem CID:	127308925
Reduced:	ON4C18H30 (1)
Stoich.:	AB4C18D30 (1)
Weight, g/mol:	317.221561
ΔH_f, kcal/mol:	-50.58
Dipole, Da:	4.4
IP(EA), eV:	-8.93(0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1CCCCC1NC(=O)N2CCCC(C2)N3C=C(C=N3)C

DOS

IR

Vibrations