Geometry & MOs

Info

ID:	40276
PubChem CID:	8143860
Reduced:	SN4C14H18 (1)
Stoich.:	AB4C14D18 (1)
Weight, g/mol:	370.158923
ΔH_f, kcal/mol:	77.42
Dipole, Da:	8.3
IP(EA), eV:	-8.3(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-[[(4aR,8aR)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-1-ium-1-yl]methyl]-5-(furan-2-yl)-3H-thieno[2,3-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=NC(=S)N(N2)CN3CCCC3

DOS

IR

Vibrations