Geometry & MOs

Info

ID:	211328
PubChem CID:	80931145
Reduced:	FON6C9H13 (1)
Stoich.:	ABC6D9E13 (1)
Weight, g/mol:	339.04949
ΔH_f, kcal/mol:	-10.62
Dipole, Da:	2.22
IP(EA), eV:	-9.25(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-bromo-3-fluorophenyl)-6-hydrazinyl-5-propylpyrimidin-4-amine

Drug info:

PubChemData

Smile

C1CNC(=O)CN(C1)C2=NC(=NC=C2F)NN

DOS

IR

Vibrations