Geometry & MOs

Info

ID:	367074
PubChem CID:	127323061
Reduced:	ON2C10H14 (2)
Stoich.:	AB2C10D14 (2)
Weight, g/mol:	337.19026
ΔH_f, kcal/mol:	-52.36
Dipole, Da:	3.78
IP(EA), eV:	-8.51(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(6-ethylpyrimidin-4-yl)piperidin-3-yl]-5-methyl-1,3-benzoxazol-2-amine

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)OC(=N2)N3CCC(CC3)CC(=O)N4CCN(CC4)C

DOS

IR

Vibrations