Geometry & MOs

Info

ID:	365125
PubChem CID:	127316882
Reduced:	O2N5C20H29 (1)
Stoich.:	A2B5C20D29 (1)
Weight, g/mol:	280.189926
ΔH_f, kcal/mol:	-42.8
Dipole, Da:	8.05
IP(EA), eV:	-8.53(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-oxoethyl]-1,3-diazinan-2-one

Drug info:

PubChemData

Smile

CC1CN2CCCC2CN1C(=O)CCC3=C(C4=C(NN(C4=NC3=O)C)C)C

DOS

IR

Vibrations