Geometry & MOs

Info

ID:	368530
PubChem CID:	127329352
Reduced:	O2N4C21H28 (1)
Stoich.:	A2B4C21D28 (1)
Weight, g/mol:	261.184112
ΔH_f, kcal/mol:	-18.2
Dipole, Da:	4.64
IP(EA), eV:	-8.66(-1.02)
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)-(1-methylpyrrol-2-yl)methanone

Drug info:

PubChemData

Smile

CC1CN2CCCCC2CN1C(=O)C3=CC=CC=C3C4=NC(=NO4)C(C)C

DOS

IR

Vibrations