Geometry & MOs

Info

ID:	356525
PubChem CID:	127291672
Reduced:	ON5C20H27 (1)
Stoich.:	AB5C20D27 (1)
Weight, g/mol:	345.135638
ΔH_f, kcal/mol:	29.02
Dipole, Da:	5.13
IP(EA), eV:	-8.9(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC=CC=C1NC(=O)CN2CCN3C(=NN=C3C4CC4)C2

DOS

IR

Vibrations