Geometry & MOs

Info

ID:	368529
PubChem CID:	127329351
Reduced:	OSN3C14H21 (1)
Stoich.:	ABC3D14E21 (1)
Weight, g/mol:	368.221226
ΔH_f, kcal/mol:	-26.92
Dipole, Da:	3.85
IP(EA), eV:	-8.82(-0.81)
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)-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]methanone

Drug info:

PubChemData

Smile

CC1CN2CCCCC2CN1C(=O)C3=CN=C(S3)C

DOS

IR

Vibrations