Geometry & MOs

Info

ID:	356505
PubChem CID:	127291652
Reduced:	ON5C18H23 (1)
Stoich.:	AB5C18D23 (1)
Weight, g/mol:	325.19026
ΔH_f, kcal/mol:	34.37
Dipole, Da:	5.16
IP(EA), eV:	-9.17(0.04)
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)-N-(3-methylphenyl)propanamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C)NC(=O)CN2CCN3C(=NN=C3C4CC4)C2

DOS

IR

Vibrations