Geometry & MOs

Info

ID:	365124
PubChem CID:	127316881
Reduced:	N3O3C20H27 (1)
Stoich.:	A3B3C20D27 (1)
Weight, g/mol:	371.232125
ΔH_f, kcal/mol:	-88.23
Dipole, Da:	4.57
IP(EA), eV:	-8.82(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,3,4-trimethyl-5-[3-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-3-oxopropyl]-2H-pyrazolo[3,4-b]pyridin-6-one

Drug info:

PubChemData

Smile

CC1CN2CCCC2CN1C(=O)COC3=CC=CC(=C3)NC(=O)C4CC4

DOS

IR

Vibrations