Geometry & MOs

Info

ID:	354564
PubChem CID:	127287178
Reduced:	N3O3C21H31 (1)
Stoich.:	A3B3C21D31 (1)
Weight, g/mol:	340.226312
ΔH_f, kcal/mol:	-90.46
Dipole, Da:	5.84
IP(EA), eV:	-8.45(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(4-methyl-1H-indol-3-yl)ethyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carboxamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)CNC(=O)N2CCN(CC2)C3CC3)OC4CCCC4

DOS

IR

Vibrations