Geometry & MOs

Info

ID:	427658
PubChem CID:	135160997
Reduced:	FN5C16H16 (1)
Stoich.:	AB5C16D16 (1)
Weight, g/mol:	476.306373
ΔH_f, kcal/mol:	50.47
Dipole, Da:	1.64
IP(EA), eV:	-9.09(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-[(2-fluorophenyl)methyl]-5-(2-methylpropyl)pyrazol-3-yl]-4-N-methyl-5-(3-methyl-4-methylidenehept-1-en-3-yl)pyrimidine-4,6-diamine

Drug info:

PubChemData

Smile

CCC1=CC(=NN1CC2=CC=CC=C2F)C3=NC=CC(=N3)N

DOS

IR

Vibrations