Geometry & MOs

Info

ID:	85268
PubChem CID:	49873338
Reduced:	NO2F4C33H35 (1)
Stoich.:	AB2C4D33E35 (1)
Weight, g/mol:	269.164046
ΔH_f, kcal/mol:	-241.24
Dipole, Da:	6.7
IP(EA), eV:	-9.16(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(1-phenylcyclohexyl)-1,2,4-triazine-3,5-diamine

Drug info:

PubChemData

Smile

CCCC(C)(C1=CC(=C(C=C1)C(C2=CC=C(C=C2)F)N3CCC4(CC4)CC3)C5=CC=C(C=C5)C(F)(F)F)C(=O)O

DOS

IR

Vibrations