Geometry & MOs

Info

ID:	360263
PubChem CID:	127300906
Reduced:	O3N5C18H21 (1)
Stoich.:	A3B5C18D21 (1)
Weight, g/mol:	369.216475
ΔH_f, kcal/mol:	-57.43
Dipole, Da:	8.69
IP(EA), eV:	-9.1(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,6,6-trimethyl-2-(3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)-5,7-dihydro-1H-indol-4-one

Drug info:

PubChemData

Smile

CC(C)C1=NN=C2N1CCN(C2)C(=O)CC3C(=O)NC4=CC=CC=C4O3

DOS

IR

Vibrations