Geometry & MOs

Info

ID:	40358
PubChem CID:	8143989
Reduced:	O2N3H17C18 (1)
Stoich.:	A2B3C17D18 (1)
Weight, g/mol:	419.13085
ΔH_f, kcal/mol:	83.56
Dipole, Da:	6.7
IP(EA), eV:	-8.55(-1.6)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[5-(4-chlorophenyl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]methyl-[2-(diethylamino)-2-oxoethyl]-methylazanium

Drug info:

PubChemData

Smile

CC(=C)[C@H]1CC(=NN1C2=CC=CC=C2)C3=CC=C(C=C3)[N+](=O)[O-]

DOS

IR

Vibrations