Geometry & MOs

Info

ID:	197334
PubChem CID:	78953166
Reduced:	NOC7H9 (2)
Stoich.:	ABC7D9 (2)
Weight, g/mol:	277.179027
ΔH_f, kcal/mol:	-18.43
Dipole, Da:	3.41
IP(EA), eV:	-9.0(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carbonyl)oxane-4-carbonitrile

Drug info:

PubChemData

Smile

CCCC1=NC(=NO1)COC2=C(C=CC(=C2)C)C

DOS

IR

Vibrations