Geometry & MOs

Info

ID:	368532
PubChem CID:	127329354
Reduced:	N3O3C20H27 (1)
Stoich.:	A3B3C20D27 (1)
Weight, g/mol:	287.199762
ΔH_f, kcal/mol:	-106.94
Dipole, Da:	3.48
IP(EA), eV:	-8.7(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2,6-dimethylpyridin-3-yl)-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)methanone

Drug info:

PubChemData

Smile

CC1CN2CCCCC2CN1C(=O)CN3C(=O)C4C5CC(C4C3=O)C=C5

DOS

IR

Vibrations