Geometry & MOs

Info

ID:	286859
PubChem CID:	104223278
Reduced:	OF2N3C13H13 (1)
Stoich.:	AB2C3D13E13 (1)
Weight, g/mol:	279.118318
ΔH_f, kcal/mol:	-65.09
Dipole, Da:	5.33
IP(EA), eV:	-9.59(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[2-(2,3-difluorophenoxy)pyrimidin-5-yl]methyl]propan-1-amine

Drug info:

PubChemData

Smile

CCNCC1=CN=C(N=C1)OC2=CC(=CC(=C2)F)F

DOS

IR

Vibrations