Geometry & MOs

Info

ID:	145904
PubChem CID:	53609668
Reduced:	ON6C16H18 (1)
Stoich.:	AB6C16D18 (1)
Weight, g/mol:	340.201159
ΔH_f, kcal/mol:	57.18
Dipole, Da:	5.61
IP(EA), eV:	-9.4(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)C1=NN=C2N1CCN(C2)C(=O)C3=CN4C=CC=CC4=N3

DOS

IR

Vibrations