Geometry & MOs

Info

ID:	365439
PubChem CID:	127317838
Reduced:	ON2C8H14 (2)
Stoich.:	AB2C8D14 (2)
Weight, g/mol:	373.236542
ΔH_f, kcal/mol:	-100.31
Dipole, Da:	4.91
IP(EA), eV:	-8.74(0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide

Drug info:

PubChemData

Smile

CC(=O)N1CCC(CC1)NC(=O)N2CCN(CC2)C3CCC3

DOS

IR

Vibrations