Geometry & MOs

Info

ID:	365574
PubChem CID:	127318067
Reduced:	OSN4C18H30 (1)
Stoich.:	ABC4D18E30 (1)
Weight, g/mol:	385.227789
ΔH_f, kcal/mol:	-61.19
Dipole, Da:	1.29
IP(EA), eV:	-8.67(0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(4-cyano-2-fluorophenyl)piperidin-3-yl]-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)C1=CN2CC(CCC2=N1)NC(=O)NCC3CCSCC3

DOS

IR

Vibrations