Geometry & MOs

Info

ID:	342700
PubChem CID:	127265860
Reduced:	N2O3C19H20 (1)
Stoich.:	A2B3C19D20 (1)
Weight, g/mol:	254.116761
ΔH_f, kcal/mol:	-32.96
Dipole, Da:	1.16
IP(EA), eV:	-9.46(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)prop-2-en-1-one

Drug info:

PubChemData

Smile

C=CC(=O)N(CC1=CC=C(C=C1)C(=O)NC2CC2)CC3=CC=CO3

DOS

IR

Vibrations