Geometry & MOs

Info

ID:	204272
PubChem CID:	79939531
Reduced:	FNC7H9 (2)
Stoich.:	ABC7D9 (2)
Weight, g/mol:	220.168797
ΔH_f, kcal/mol:	-69.48
Dipole, Da:	4.47
IP(EA), eV:	-8.4(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1-ethylpyrazol-4-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine

Drug info:

PubChemData

Smile

C1CC2CN(CCCN2C1)C3=C(C(=CC=C3)F)F

DOS

IR

Vibrations