Geometry & MOs

Info

ID:	189388
PubChem CID:	77849187
Reduced:	ON6C18H26 (1)
Stoich.:	AB6C18D26 (1)
Weight, g/mol:	370.146347
ΔH_f, kcal/mol:	46.61
Dipole, Da:	3.66
IP(EA), eV:	-8.86(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-phenylprop-2-enyl)-4-pyrimidin-2-yl-2,3,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazine 6,6-dioxide

Drug info:

PubChemData

Smile

C1CCN(C1)CC2CN(CC2CO)CC3=CC=C(C=C3)C4=NNN=N4

DOS

IR

Vibrations