Geometry & MOs

Info

ID:	356519
PubChem CID:	127291666
Reduced:	ON3C10H12 (2)
Stoich.:	AB3C10D12 (2)
Weight, g/mol:	363.126216
ΔH_f, kcal/mol:	11.29
Dipole, Da:	6.39
IP(EA), eV:	-9.08(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1(C(=O)NC2=CC=CC=C2N1C(=O)CN3CCN4C(=NN=C4C5CC5)C3)C

DOS

IR

Vibrations