Geometry & MOs

Info

ID:	365569
PubChem CID:	127318050
Reduced:	SO2N4C19H32 (1)
Stoich.:	AB2C4D19E32 (1)
Weight, g/mol:	371.220892
ΔH_f, kcal/mol:	-86.91
Dipole, Da:	5.18
IP(EA), eV:	-8.58(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(5-methoxy-3-methyl-1-benzofuran-2-yl)ethyl]-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide

Drug info:

PubChemData

Smile

CCC1=CSC(=N1)C2CCCN(C2)C(=O)NC(C)C(C)N3CCOCC3

DOS

IR

Vibrations