Geometry & MOs

Info

ID:	204131
PubChem CID:	79917963
Reduced:	NOC8H12 (2)
Stoich.:	ABC8D12 (2)
Weight, g/mol:	306.140199
ΔH_f, kcal/mol:	-93.84
Dipole, Da:	3.35
IP(EA), eV:	-9.28(0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-[5-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-ylmethyl)thiophen-3-yl]prop-2-enoic acid

Drug info:

PubChemData

Smile

C1CCN2C(C1)C(=O)N(CCC2=O)C3CC4CCC3C4

DOS

IR

Vibrations