Geometry & MOs

Info

ID:	364613
PubChem CID:	127315865
Reduced:	O2N3C13H19 (1)
Stoich.:	A2B3C13D19 (1)
Weight, g/mol:	262.179361
ΔH_f, kcal/mol:	-52.17
Dipole, Da:	4.95
IP(EA), eV:	-9.03(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NN(C=C1C(=O)N2CCOC3C2CCC3)C

DOS

IR

Vibrations