Geometry & MOs

Info

ID:	365226
PubChem CID:	127317074
Reduced:	SN3O4C19H33 (1)
Stoich.:	AB3C4D19E33 (1)
Weight, g/mol:	345.205242
ΔH_f, kcal/mol:	-184.6
Dipole, Da:	10.36
IP(EA), eV:	-8.71(0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)acetamide

Drug info:

PubChemData

Smile

CC1CN2CCCC2CN1CC(=O)N(CC3CCCO3)C4CCS(=O)(=O)C4

DOS

IR

Vibrations