Geometry & MOs

Info

ID:	368513
PubChem CID:	127329325
Reduced:	N3O3C21H29 (1)
Stoich.:	A3B3C21D29 (1)
Weight, g/mol:	276.195011
ΔH_f, kcal/mol:	-106.97
Dipole, Da:	7.81
IP(EA), eV:	-9.04(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1,3-dimethylpyrazol-4-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)[C@H]3COCC(=O)N3CC4=CC=CC=C4

DOS

IR

Vibrations