Geometry & MOs

Info

ID:	368507
PubChem CID:	127329319
Reduced:	SO2N3C20H29 (1)
Stoich.:	AB2C3D20E29 (1)
Weight, g/mol:	263.163377
ΔH_f, kcal/mol:	-89.9
Dipole, Da:	4.65
IP(EA), eV:	-8.56(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-(5-methyl-1,3-oxazol-4-yl)methanone

Drug info:

PubChemData

Smile

CC1CN2CCCCC2CN1C(=O)C(C)SC3=CC=C(C=C3)NC(=O)C

DOS

IR

Vibrations