Geometry & MOs

Info

ID:	415043
PubChem CID:	135088029
Reduced:	N5C22H27 (1)
Stoich.:	A5B22C27 (1)
Weight, g/mol:	362.11227
ΔH_f, kcal/mol:	60.31
Dipole, Da:	3.43
IP(EA), eV:	-8.24(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4aR,7aS)-1-methyl-4-[(5-phenylthiophen-2-yl)methyl]-2,3,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazine 6,6-dioxide

Drug info:

PubChemData

Smile

CCN1C=CC2=C(C=CC=C21)CN3CCCC4(C3)CCC5=CN=C(N=C45)N

DOS

IR

Vibrations