Geometry & MOs

Info

ID:	362813
PubChem CID:	127309367
Reduced:	SO3N4C16H24 (1)
Stoich.:	AB3C4D16E24 (1)
Weight, g/mol:	308.221226
ΔH_f, kcal/mol:	-118.75
Dipole, Da:	1.21
IP(EA), eV:	-9.38(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(=O)NC1CCC(CC1)NC(=O)N2CCOC(C2)C3=NC=CS3

DOS

IR

Vibrations