Geometry & MOs

Info

ID:	286905
PubChem CID:	104223463
Reduced:	ON6H12C13 (1)
Stoich.:	AB6C12D13 (1)
Weight, g/mol:	275.14339
ΔH_f, kcal/mol:	109.07
Dipole, Da:	5.06
IP(EA), eV:	-9.39(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[2-(4-fluoro-3-methylphenoxy)pyrimidin-5-yl]methyl]propan-2-amine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2C=NC(=N2)OC3=NC=C(C=N3)CN

DOS

IR

Vibrations