Geometry & MOs

Info

ID:	204264
PubChem CID:	79938292
Reduced:	FN3C15H18 (1)
Stoich.:	AB3C15D18 (1)
Weight, g/mol:	241.161269
ΔH_f, kcal/mol:	6.69
Dipole, Da:	5.53
IP(EA), eV:	-8.65(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CN2CCCC2CN1C3=C(C=C(C=C3)F)C#N

DOS

IR

Vibrations