Geometry & MOs

Info

ID:	356506
PubChem CID:	127291653
Reduced:	ON5C18H23 (1)
Stoich.:	AB5C18D23 (1)
Weight, g/mol:	350.185509
ΔH_f, kcal/mol:	34.9
Dipole, Da:	8.09
IP(EA), eV:	-8.82(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)NC(=O)C(C)N2CCN3C(=NN=C3C4CC4)C2

DOS

IR

Vibrations