Geometry & MOs

Info

ID:	203903
PubChem CID:	79890155
Reduced:	ON3C12H17 (1)
Stoich.:	AB3C12D17 (1)
Weight, g/mol:	239.105862
ΔH_f, kcal/mol:	-12.32
Dipole, Da:	1.7
IP(EA), eV:	-8.14(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-N-benzyl-1,3-benzoxazole-2,6-diamine

Drug info:

PubChemData

Smile

CCC(CC)NC1=NC2=C(C=CC=C2O1)N

DOS

IR

Vibrations