Geometry & MOs

Info

ID:	212157
PubChem CID:	81059677
Reduced:	OSN3C13H19 (1)
Stoich.:	ABC3D13E19 (1)
Weight, g/mol:	250.142976
ΔH_f, kcal/mol:	-7.07
Dipole, Da:	2.92
IP(EA), eV:	-8.11(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-N-methyl-4-N-(2-propan-2-yloxyethyl)-2,1,3-benzoxadiazole-4,7-diamine

Drug info:

PubChemData

Smile

CC(C)OCCN(C)C1=C(C2=C(C=C1)SC=N2)N

DOS

IR

Vibrations