Geometry & MOs

Info

ID:	356520
PubChem CID:	127291667
Reduced:	ClFON5C17H19 (1)
Stoich.:	ABCD5E17F19 (1)
Weight, g/mol:	385.284161
ΔH_f, kcal/mol:	-10.66
Dipole, Da:	8.13
IP(EA), eV:	-9.17(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,N-dicyclohexyl-2-(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)acetamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1=C(C=C(C=C1)F)Cl)N2CCN3C(=NN=C3C4CC4)C2

DOS

IR

Vibrations