Geometry & MOs

Info

ID:	145666
PubChem CID:	53568177
Reduced:	F3N8C13H13 (1)
Stoich.:	A3B8C13D13 (1)
Weight, g/mol:	310.00654
ΔH_f, kcal/mol:	-27.74
Dipole, Da:	5.23
IP(EA), eV:	-9.96(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-bromofuran-3-yl)-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone

Drug info:

PubChemData

Smile

CC1=NC2=NC(=NN2C(=C1)NC3CCC4=NC=NN4C3)C(F)(F)F

DOS

IR

Vibrations