Geometry & MOs

Info

ID:	126593
PubChem CID:	50969238
Reduced:	FN2O3C17H21 (1)
Stoich.:	AB2C3D17E21 (1)
Weight, g/mol:	364.11063
ΔH_f, kcal/mol:	-157.27
Dipole, Da:	2.71
IP(EA), eV:	-8.92(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[methyl-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)amino]methyl]-1H-thieno[3,2-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

C1CN(CCC1N2CC(CC2=O)C(=O)O)CC3=CC=C(C=C3)F

DOS

IR

Vibrations