Geometry & MOs

Info

ID:	41139
PubChem CID:	8145342
Reduced:	NOC5H7 (4)
Stoich.:	ABC5D7 (4)
Weight, g/mol:	402.148752
ΔH_f, kcal/mol:	-135.11
Dipole, Da:	5.28
IP(EA), eV:	-8.92(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(6-methoxycarbonyl-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methyl-[(2-methoxy-5-methylphenyl)methyl]-methylazanium

Drug info:

PubChemData

Smile

CCCCN1C(=O)C(=O)N(C1=O)CN2CCN(CC2)C3=CC=CC=C3OCC

DOS

IR

Vibrations