Geometry & MOs

Info

ID:	204730
PubChem CID:	80001726
Reduced:	ClFN4H8C13 (1)
Stoich.:	ABC4D8E13 (1)
Weight, g/mol:	244.157563
ΔH_f, kcal/mol:	75.68
Dipole, Da:	2.18
IP(EA), eV:	-9.29(-1.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5,7-dimethyl-2-(piperidin-4-ylmethyl)-1,3-benzoxazole

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)F)C2=CN(N=C2)C3=NN=C(C=C3)Cl

DOS

IR

Vibrations