Geometry & MOs

Info

ID:	368526
PubChem CID:	127329348
Reduced:	OSN3C14H21 (1)
Stoich.:	ABC3D14E21 (1)
Weight, g/mol:	389.221561
ΔH_f, kcal/mol:	-24.35
Dipole, Da:	3.81
IP(EA), eV:	-8.82(-0.86)
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)-(3-methyl-1-phenylpyrazolo[3,4-b]pyridin-6-yl)methanone

Drug info:

PubChemData

Smile

CC1CN2CCCCC2CN1C(=O)C3=C(N=CS3)C

DOS

IR

Vibrations