Geometry & MOs

Info

ID:	368503
PubChem CID:	127329315
Reduced:	O2N3C23H27 (1)
Stoich.:	A2B3C23D27 (1)
Weight, g/mol:	273.184112
ΔH_f, kcal/mol:	-45.06
Dipole, Da:	6.16
IP(EA), eV:	-8.72(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CN2CCCCC2CN1C(=O)C3=CC=C(C=C3)NC(=O)C4=CC=CC=C4

DOS

IR

Vibrations