Geometry & MOs

Info

ID:	368606
PubChem CID:	127329639
Reduced:	O2N4C21H30 (1)
Stoich.:	A2B4C21D30 (1)
Weight, g/mol:	392.197904
ΔH_f, kcal/mol:	-74.31
Dipole, Da:	5.7
IP(EA), eV:	-8.6(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(2-chloroanilino)-2-oxoethyl]-N-methyl-2-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)acetamide

Drug info:

PubChemData

Smile

CC1CN2CCCCC2CN1CC(=O)N3C4=CC=CC=C4NC(=O)C3(C)C

DOS

IR

Vibrations