Geometry & MOs

Info

ID:	262994
PubChem CID:	103333099
Reduced:	BrFOSN3H9C13 (1)
Stoich.:	ABCDE3F9G13 (1)
Weight, g/mol:	291.151767
ΔH_f, kcal/mol:	6.06
Dipole, Da:	1.82
IP(EA), eV:	-8.75(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-hydrazinyl-N-[(2-methylcyclohexyl)methyl]thieno[2,3-d]pyrimidin-4-amine

Drug info:

PubChemData

Smile

CNC1=NC(=C2C=CSC2=N1)OC3=CC(=CC(=C3)Br)F

DOS

IR

Vibrations