Geometry & MOs

Info

ID:	286856
PubChem CID:	104223257
Reduced:	FO3N4C13H13 (1)
Stoich.:	AB3C4D13E13 (1)
Weight, g/mol:	285.184112
ΔH_f, kcal/mol:	-13.95
Dipole, Da:	5.92
IP(EA), eV:	-9.56(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[2-(4-propylphenoxy)pyrimidin-5-yl]methyl]propan-2-amine

Drug info:

PubChemData

Smile

CCNCC1=CN=C(N=C1)OC2=C(C=C(C=C2)F)[N+](=O)[O-]

DOS

IR

Vibrations