Geometry & MOs

Info

ID:	362546
PubChem CID:	127308161
Reduced:	OF3N3C14H16 (1)
Stoich.:	AB3C3D14E16 (1)
Weight, g/mol:	281.133969
ΔH_f, kcal/mol:	-151.09
Dipole, Da:	4.47
IP(EA), eV:	-9.05(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,5-difluorophenyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide

Drug info:

PubChemData

Smile

C1CC2CN(CCN2C1)C(=O)NC3=C(C(=C(C=C3)F)F)F

DOS

IR

Vibrations