Geometry & MOs

Info

ID:	355540
PubChem CID:	127288610
Reduced:	FON5C18H24 (1)
Stoich.:	ABC5D18E24 (1)
Weight, g/mol:	348.227374
ΔH_f, kcal/mol:	-47.14
Dipole, Da:	4.05
IP(EA), eV:	-8.83(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-acetylpiperazin-1-yl)-2-[(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]propan-1-one

Drug info:

PubChemData

Smile

CCC1=NN2CC(CCC2=N1)NC(C)C(=O)NC3=C(C=C(C=C3)C)F

DOS

IR

Vibrations