Geometry & MOs

Info

ID:	296552
PubChem CID:	117583418
Reduced:	ON5C14H15 (1)
Stoich.:	AB5C14D15 (1)
Weight, g/mol:	269.12766
ΔH_f, kcal/mol:	42.55
Dipole, Da:	2.06
IP(EA), eV:	-8.92(-0.85)
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-5-amine

Drug info:

PubChemData

Smile

CC1=NC2=C(O1)C=C(C=C2)NC3=NC(=NC=C3)CCN

DOS

IR

Vibrations