Geometry & MOs

Info

ID:	296551
PubChem CID:	117583259
Reduced:	F2N4C13H14 (1)
Stoich.:	A2B4C13D14 (1)
Weight, g/mol:	269.12766
ΔH_f, kcal/mol:	-28.94
Dipole, Da:	4.18
IP(EA), eV:	-9.24(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(2-aminoethyl)pyrimidin-4-yl]-2-methyl-1,3-benzoxazol-6-amine

Drug info:

PubChemData

Smile

CN(CC1=CC(=C(C=C1)F)F)C2=NC(=NC=C2)CN

DOS

IR

Vibrations