Geometry & MOs

Info

ID:	292567
PubChem CID:	116933602
Reduced:	ON3C12H17 (1)
Stoich.:	AB3C12D17 (1)
Weight, g/mol:	233.152812
ΔH_f, kcal/mol:	-4.94
Dipole, Da:	1.68
IP(EA), eV:	-9.44(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-1-(2-methyl-1,3-benzoxazol-6-yl)butane-1,3-diamine

Drug info:

PubChemData

Smile

CC(C)(CC(C1=CC2=C(C=C1)N=CO2)N)N

DOS

IR

Vibrations