Geometry & MOs

Info

ID:	263005
PubChem CID:	103333346
Reduced:	BrOSN3H12C14 (1)
Stoich.:	ABCD3E12F14 (1)
Weight, g/mol:	296.084416
ΔH_f, kcal/mol:	31.46
Dipole, Da:	1.1
IP(EA), eV:	-8.66(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]benzonitrile

Drug info:

PubChemData

Smile

CC1=CC2=C(N=C(N=C2S1)N)OC3=CC(=C(C=C3)Br)C

DOS

IR

Vibrations