Geometry & MOs

Info

ID:	253853
PubChem CID:	103121123
Reduced:	ON4C16H22 (1)
Stoich.:	AB4C16D22 (1)
Weight, g/mol:	271.14331
ΔH_f, kcal/mol:	4.48
Dipole, Da:	3.54
IP(EA), eV:	-8.89(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(4aS,7aS)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]-pyrazolo[1,5-a]pyrazin-3-ylmethanone

Drug info:

PubChemData

Smile

CC1CCN(CC1CN)C(=O)C2=NN(C3=CC=CC=C32)C

DOS

IR

Vibrations