Geometry & MOs

Info

ID:	368521
PubChem CID:	127329343
Reduced:	O2N5C21H31 (1)
Stoich.:	A2B5C21D31 (1)
Weight, g/mol:	236.188863
ΔH_f, kcal/mol:	-46.43
Dipole, Da:	11.88
IP(EA), eV:	-8.64(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CN2CCCCC2CN1C(=O)CCC3=C(C4=C(NN(C4=NC3=O)C)C)C

DOS

IR

Vibrations