Geometry & MOs

Info

ID:	354553
PubChem CID:	127287167
Reduced:	O2N5C20H33 (1)
Stoich.:	A2B5C20D33 (1)
Weight, g/mol:	383.232125
ΔH_f, kcal/mol:	-39.63
Dipole, Da:	4.98
IP(EA), eV:	-8.89(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carboxamide

Drug info:

PubChemData

Smile

CC(C)C(C1=NC(=NO1)C2CC2)NC(=O)N3CCCC3CN4CCCCC4

DOS

IR

Vibrations