Geometry & MOs

Info

ID:	212510
PubChem CID:	81060766
Reduced:	ON3C14H17 (1)
Stoich.:	AB3C14D17 (1)
Weight, g/mol:	256.168797
ΔH_f, kcal/mol:	3.18
Dipole, Da:	4.68
IP(EA), eV:	-9.07(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2,6-dimethylpyridine-3-carbonitrile

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=N1)C)C#N)N2CC3CCC(C2)O3

DOS

IR

Vibrations