Geometry & MOs

Info

ID:	188350
PubChem CID:	77702883
Reduced:	FO3N6C20H20 (1)
Stoich.:	AB3C6D20E20 (1)
Weight, g/mol:	207.046633
ΔH_f, kcal/mol:	-56.76
Dipole, Da:	2.98
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.812597
Charge, e:	0

Chem-info

IUPAC name:

4-amino-5-(thiophen-3-ylmethyl)-5H-pyrimidin-2-one

Drug info:

PubChemData

Smile

C[N+]1=C(C(=NC(=O)C2=C(NN=C2)CC3=CC(=CC=C3)F)C(=O)N(C1=O)CC4CC4)N

DOS

IR

Vibrations