Geometry & MOs

Info

ID:	367523
PubChem CID:	127324874
Reduced:	O4N5C18H27 (1)
Stoich.:	A4B5C18D27 (1)
Weight, g/mol:	236.163711
ΔH_f, kcal/mol:	-144.35
Dipole, Da:	2.36
IP(EA), eV:	-9.47(0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C(=O)N1CCOCC1)NC(=O)C2CCC(=O)N(C2C3=CN(N=C3)C)C

DOS

IR

Vibrations