Geometry & MOs

Info

ID:	354500
PubChem CID:	127287049
Reduced:	N3O3C22H25 (1)
Stoich.:	A3B3C22D25 (1)
Weight, g/mol:	378.182254
ΔH_f, kcal/mol:	-95.42
Dipole, Da:	4.85
IP(EA), eV:	-8.69(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(3-chloro-2-methylanilino)-3-oxopropyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carboxamide

Drug info:

PubChemData

Smile

C1CC2=C(C=CC(=C2)C3=CC=C(C=C3)CNC(=O)N4CCC(=O)NCC4)OC1

DOS

IR

Vibrations