Geometry & MOs

Info

ID:	362547
PubChem CID:	127308162
Reduced:	OF2N3C14H17 (1)
Stoich.:	AB2C3D14E17 (1)
Weight, g/mol:	281.133969
ΔH_f, kcal/mol:	-110.81
Dipole, Da:	4.21
IP(EA), eV:	-8.98(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,6-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=CC(=C3)F)F

DOS

IR

Vibrations