Geometry & MOs

Info

ID:	203905
PubChem CID:	79890157
Reduced:	FON3H14C15 (1)
Stoich.:	ABC3D14E15 (1)
Weight, g/mol:	257.152812
ΔH_f, kcal/mol:	-16.8
Dipole, Da:	3.1
IP(EA), eV:	-8.24(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-N-(2,2-dicyclopropylethyl)-1,3-benzoxazole-2,5-diamine

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)CCNC2=NC3=C(C=CC=C3O2)N)F

DOS

IR

Vibrations