Geometry & MOs

Info

ID:	189882
PubChem CID:	77919367
Reduced:	O3N6C14H16 (1)
Stoich.:	A3B6C14D16 (1)
Weight, g/mol:	373.146013
ΔH_f, kcal/mol:	-33.21
Dipole, Da:	5.33
IP(EA), eV:	-9.15(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[6,6-dioxo-4-(pyridin-3-ylmethyl)-2,3,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazin-1-yl]methyl]phenol

Drug info:

PubChemData

Smile

CN1C2CCC(C1=O)CN(C2)C(=O)C3=CN=C4N=CNN4C3=O

DOS

IR

Vibrations