Geometry & MOs

Info

ID:	365510
PubChem CID:	127317937
Reduced:	SO2N3C19H31 (1)
Stoich.:	AB2C3D19E31 (1)
Weight, g/mol:	371.220892
ΔH_f, kcal/mol:	-96.55
Dipole, Da:	3.76
IP(EA), eV:	-8.98(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[cyclopropyl(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]-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)NCCOC3CCCCC3

DOS

IR

Vibrations