Geometry & MOs

Info

ID:	360268
PubChem CID:	127300911
Reduced:	O3N5C20H25 (1)
Stoich.:	A3B5C20D25 (1)
Weight, g/mol:	374.174276
ΔH_f, kcal/mol:	-69.3
Dipole, Da:	12.65
IP(EA), eV:	-9.35(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-methylbenzo[g][1]benzofuran-2-yl)-(3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone

Drug info:

PubChemData

Smile

CC(C)C1=NN=C2N1CCN(C2)C(=O)C3=CC(=CC=C3)NC(=O)C4CCCO4

DOS

IR

Vibrations