Geometry & MOs

Info

ID:	203914
PubChem CID:	79890906
Reduced:	ON3H13C14 (1)
Stoich.:	AB3C13D14 (1)
Weight, g/mol:	260.163711
ΔH_f, kcal/mol:	43.43
Dipole, Da:	0.89
IP(EA), eV:	-8.11(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-propylpiperazin-1-yl)-1,3-benzoxazol-4-amine

Drug info:

PubChemData

Smile

CN(C1=CC=CC=C1)C2=NC3=C(C=CC=C3O2)N

DOS

IR

Vibrations