Geometry & MOs

Info

ID:	204259
PubChem CID:	79936531
Reduced:	N2O2F3C11H17 (1)
Stoich.:	A2B2C3D11E17 (1)
Weight, g/mol:	300.114378
ΔH_f, kcal/mol:	-246.11
Dipole, Da:	3.73
IP(EA), eV:	-8.9(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-[(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)sulfonyl]furan-2-yl]methanol

Drug info:

PubChemData

Smile

C1CC2CN(CCN2C1)C(CC(=O)O)C(F)(F)F

DOS

IR

Vibrations