Geometry & MOs

Info

ID:	368516
PubChem CID:	127329337
Reduced:	O3N4C22H28 (1)
Stoich.:	A3B4C22D28 (1)
Weight, g/mol:	300.150764
ΔH_f, kcal/mol:	-100.81
Dipole, Da:	2.31
IP(EA), eV:	-8.72(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1,1-dioxothiolan-3-yl)-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)methanone

Drug info:

PubChemData

Smile

CC1CN2CCCCC2CN1C(=O)CN3C(=O)C=CN(C3=O)CC4=CC=CC=C4

DOS

IR

Vibrations