Geometry & MOs

Info

ID:	365101
PubChem CID:	127316843
Reduced:	OF3N5C18H20 (1)
Stoich.:	AB3C5D18E20 (1)
Weight, g/mol:	253.179027
ΔH_f, kcal/mol:	-111.95
Dipole, Da:	5.59
IP(EA), eV:	-8.72(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CN2CCCC2CN1C(=O)C3=CN(N=N3)C4=CC=CC=C4C(F)(F)F

DOS

IR

Vibrations