Geometry & MOs

Info

ID:	362789
PubChem CID:	127309337
Reduced:	SO3N4C18H28 (1)
Stoich.:	AB3C4D18E28 (1)
Weight, g/mol:	336.252526
ΔH_f, kcal/mol:	-123.35
Dipole, Da:	1.96
IP(EA), eV:	-9.47(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCC(CC1)CC(=O)NCCNC(=O)N2CCOC(C2)C3=NC=CS3

DOS

IR

Vibrations