Geometry & MOs

Info

ID:	368896
PubChem CID:	127330888
Reduced:	O2N3C18H27 (1)
Stoich.:	A2B3C18D27 (1)
Weight, g/mol:	324.144707
ΔH_f, kcal/mol:	-80.76
Dipole, Da:	2.19
IP(EA), eV:	-8.1(0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN(CCNC(=O)NC1=CC2=C(C=C1)OCCC2)C3CCCC3

DOS

IR

Vibrations