Geometry & MOs

Info

ID:	362718
PubChem CID:	127309263
Reduced:	O3N4C21H28 (1)
Stoich.:	A3B4C21D28 (1)
Weight, g/mol:	359.220892
ΔH_f, kcal/mol:	-71.71
Dipole, Da:	2.99
IP(EA), eV:	-8.68(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CN(N=C1)C2CCCN(C2)C(=O)NCC(C)(C)C3=CC4=C(C=C3)OCO4

DOS

IR

Vibrations