Geometry & MOs

Info

ID:	354340
PubChem CID:	127286466
Reduced:	ON6C18H32 (1)
Stoich.:	AB6C18D32 (1)
Weight, g/mol:	346.24811
ΔH_f, kcal/mol:	-37.68
Dipole, Da:	6.94
IP(EA), eV:	-8.48(0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)ethyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carboxamide

Drug info:

PubChemData

Smile

CCN1CCCC(C1)CNC(=O)NCCC2=NN=C3N2CCCCC3

DOS

IR

Vibrations