Geometry & MOs

Info

ID:	355377
PubChem CID:	127288438
Reduced:	ON7C17H21 (1)
Stoich.:	AB7C17D21 (1)
Weight, g/mol:	250.179361
ΔH_f, kcal/mol:	57.32
Dipole, Da:	5.35
IP(EA), eV:	-9.38(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NN2C(=C(C=NC2=C1)C(=O)N3CCN4C(=NN=C4C(C)C)C3)C

DOS

IR

Vibrations