Geometry & MOs

Info

ID:	190277
PubChem CID:	77980295
Reduced:	ClF2O4N7H24C26 (1)
Stoich.:	AB2C4D7E24F26 (1)
Weight, g/mol:	283.179696
ΔH_f, kcal/mol:	-117.46
Dipole, Da:	8.89
IP(EA), eV:	-8.53(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-N-tert-butyl-4-N-[(4-methylphenyl)methylideneamino]pyrimidine-4,6-diamine

Drug info:

PubChemData

Smile

CC(=O)C1=CN(C2=C1C=CC(=C2)OCC3=NNN=N3)CC(=O)N4CC(CC4C(=O)NCC5=C(C(=CC=C5)Cl)F)F

DOS

IR

Vibrations