Geometry & MOs

Info

ID:	354265
PubChem CID:	127286229
Reduced:	ClOSN4C17H21 (1)
Stoich.:	ABCD4E17F21 (1)
Weight, g/mol:	278.174276
ΔH_f, kcal/mol:	-7.86
Dipole, Da:	4.76
IP(EA), eV:	-8.84(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CN(CCC1C#N)C(=O)NC2=C(C=CC(=C2)Cl)N3CCSCC3

DOS

IR

Vibrations