Geometry & MOs

Info

ID:	210408
PubChem CID:	80802691
Reduced:	F2N5C14H17 (1)
Stoich.:	A2B5C14D17 (1)
Weight, g/mol:	275.185844
ΔH_f, kcal/mol:	-55.86
Dipole, Da:	4.18
IP(EA), eV:	-8.78(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-N-heptan-2-yl-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine

Drug info:

PubChemData

Smile

CCNC1=CC(=NC(=N1)N)NCCC2=CC(=CC(=C2)F)F

DOS

IR

Vibrations