Geometry & MOs

Info

ID:	368520
PubChem CID:	127329342
Reduced:	O2N3C23H29 (1)
Stoich.:	A2B3C23D29 (1)
Weight, g/mol:	385.247775
ΔH_f, kcal/mol:	-62.69
Dipole, Da:	3.9
IP(EA), eV:	-8.77(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,3,4-trimethyl-5-[3-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-3-oxopropyl]-2H-pyrazolo[3,4-b]pyridin-6-one

Drug info:

PubChemData

Smile

CC1CN2CCCCC2CN1C(=O)CCNC(=O)C3=CC4=CC=CC=C4C=C3

DOS

IR

Vibrations