Geometry & MOs

Info

ID:	365508
PubChem CID:	127317935
Reduced:	SO2N4C20H32 (1)
Stoich.:	AB2C4D20E32 (1)
Weight, g/mol:	359.220892
ΔH_f, kcal/mol:	-108.7
Dipole, Da:	3.35
IP(EA), eV:	-9.2(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]-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)NCCC(=O)NC3CCCCC3

DOS

IR

Vibrations