Geometry & MOs

Info

ID:	145669
PubChem CID:	53569091
Reduced:	ClN2O3C17H17 (1)
Stoich.:	AB2C3D17E17 (1)
Weight, g/mol:	314.174276
ΔH_f, kcal/mol:	-93.94
Dipole, Da:	4.36
IP(EA), eV:	-9.63(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethoxy-1-(3-ethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-phenylethanone

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(=O)NCCCNC(=O)C2=CC(=C(C=C2)O)Cl

DOS

IR

Vibrations