Geometry & MOs

Info

ID:	368515
PubChem CID:	127329336
Reduced:	SO2N3C17H25 (1)
Stoich.:	AB2C3D17E25 (1)
Weight, g/mol:	396.216141
ΔH_f, kcal/mol:	-72.57
Dipole, Da:	2.24
IP(EA), eV:	-8.69(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-benzyl-3-[2-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-oxoethyl]pyrimidine-2,4-dione

Drug info:

PubChemData

Smile

CC1CN2CCCCC2CN1C(=O)CCNC(=O)C3=CSC=C3

DOS

IR

Vibrations