Geometry & MOs

Info

ID:	360264
PubChem CID:	127300907
Reduced:	O2N5C20H27 (1)
Stoich.:	A2B5C20D27 (1)
Weight, g/mol:	379.212058
ΔH_f, kcal/mol:	-52.1
Dipole, Da:	6.47
IP(EA), eV:	-9.43(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5-methyl-1-(4-methylphenyl)triazol-4-yl]-1-(3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethanone

Drug info:

PubChemData

Smile

CC1=C(NC2=C1C(=O)CC(C2)(C)C)C(=O)N3CCN4C(=NN=C4C(C)C)C3

DOS

IR

Vibrations