Geometry & MOs

Info

ID:	126021
PubChem CID:	50948704
Reduced:	OSN6C16H20 (1)
Stoich.:	ABC6D16E20 (1)
Weight, g/mol:	362.231791
ΔH_f, kcal/mol:	42.44
Dipole, Da:	3.5
IP(EA), eV:	-8.86(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(7R,8aS)-1,4-dioxo-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-7-yl]-1-piperidin-1-ylcyclohexane-1-carboxamide

Drug info:

PubChemData

Smile

CN1C[C@H]2CNC[C@]2(C1)C(=O)NCC3=CSC(=N3)C4=NC=CN=C4

DOS

IR

Vibrations