Geometry & MOs

Info

ID:	145680
PubChem CID:	53569699
Reduced:	N3O3H19C20 (1)
Stoich.:	A3B3C19D20 (1)
Weight, g/mol:	345.162332
ΔH_f, kcal/mol:	-58.7
Dipole, Da:	8.53
IP(EA), eV:	-8.61(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclopropyl-2-(3-ethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-(thiophen-3-ylmethyl)acetamide

Drug info:

PubChemData

Smile

COC1=CC=CC=C1C2=CNC=C2C(=O)NC3=CC=C(C=C3)CC(=O)N

DOS

IR

Vibrations