Geometry & MOs

Info

ID:	203946
PubChem CID:	79892844
Reduced:	ON3C15H23 (1)
Stoich.:	AB3C15D23 (1)
Weight, g/mol:	269.083413
ΔH_f, kcal/mol:	-29.38
Dipole, Da:	2.19
IP(EA), eV:	-8.1(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-N-(3-methylsulfonylpropyl)-1,3-benzoxazole-2,4-diamine

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations