Geometry & MOs

Info

ID:	362475
PubChem CID:	127307951
Reduced:	ON3C17H27 (1)
Stoich.:	AB3C17D27 (1)
Weight, g/mol:	393.08004
ΔH_f, kcal/mol:	-56.66
Dipole, Da:	2.71
IP(EA), eV:	-9.07(0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-1-[3-oxo-3-(3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)propyl]pyridin-2-one

Drug info:

PubChemData

Smile

CC1=C(C(=NN1)C)CC(=O)N2CCCC3(C2)CCCCC3

DOS

IR

Vibrations