Geometry & MOs

Info

ID:	203949
PubChem CID:	79892961
Reduced:	OF3N4H7C11 (1)
Stoich.:	AB3C4D7E11 (1)
Weight, g/mol:	245.152812
ΔH_f, kcal/mol:	-91.55
Dipole, Da:	7.11
IP(EA), eV:	-8.82(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-N-[(1-methylcyclopentyl)methyl]-1,3-benzoxazole-2,4-diamine

Drug info:

PubChemData

Smile

C1=CC2=C(C=C1N)OC(=N2)N3C=C(C=N3)C(F)(F)F

DOS

IR

Vibrations