Geometry & MOs

Info

ID:	362605
PubChem CID:	127308376
Reduced:	ON7C14H17 (1)
Stoich.:	AB7C14D17 (1)
Weight, g/mol:	277.15904
ΔH_f, kcal/mol:	64.88
Dipole, Da:	4.57
IP(EA), eV:	-9.49(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NC=C(C=N1)NC(=O)N2CCN3C(=NN=C3C4CC4)C2

DOS

IR

Vibrations