Geometry & MOs

Info

ID:	365551
PubChem CID:	127318016
Reduced:	OS2N4C18H26 (1)
Stoich.:	AB2C4D18E26 (1)
Weight, g/mol:	349.18017
ΔH_f, kcal/mol:	-16.87
Dipole, Da:	4.71
IP(EA), eV:	-8.89(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(6-fluoro-4H-1,3-benzodioxin-8-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)NCCC3=CSC(=N3)CC

DOS

IR

Vibrations