Geometry & MOs

Info

ID:	362221
PubChem CID:	127307234
Reduced:	O3N5C15H17 (1)
Stoich.:	A3B5C15D17 (1)
Weight, g/mol:	313.165108
ΔH_f, kcal/mol:	-32.41
Dipole, Da:	8.26
IP(EA), eV:	-8.97(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CN2C=NN=C2CN1C(=O)NCC3COC4=CC=CC=C4O3

DOS

IR

Vibrations