Geometry & MOs

Info

ID:	286801
PubChem CID:	104222448
Reduced:	OF3N5C12H14 (1)
Stoich.:	AB3C5D12E14 (1)
Weight, g/mol:	281.164046
ΔH_f, kcal/mol:	-100.21
Dipole, Da:	8.53
IP(EA), eV:	-9.75(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2-indazol-1-ylpyrimidin-5-yl)methyl]-2-methylpropan-1-amine

Drug info:

PubChemData

Smile

COCCNCC1=CN=C(N=C1)N2C=CC(=N2)C(F)(F)F

DOS

IR

Vibrations