Geometry & MOs

Info

ID:	165057
PubChem CID:	74491502
Reduced:	O3N4C24H31 (1)
Stoich.:	A3B4C24D31 (1)
Weight, g/mol:	336.138188
ΔH_f, kcal/mol:	-73.45
Dipole, Da:	3.36
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.118223
Charge, e:	1

Chem-info

IUPAC name:

cyclopentyl-[(6-methoxycarbonyl-5-methyl-4-oxo-4aH-thieno[2,3-d]pyrimidin-2-yl)methyl]-methylazanium

Drug info:

PubChemData

Smile

CCN1C2=CC=CC=C2N(C1=O)CC(=O)NCC(C3=CC=C(C=C3)OC)[NH+]4CCCC4

DOS

IR

Vibrations