Geometry & MOs

Info

ID:	277336
PubChem CID:	103827941
Reduced:	BrON2H15C17 (1)
Stoich.:	ABC2D15E17 (1)
Weight, g/mol:	346.03169
ΔH_f, kcal/mol:	39.52
Dipole, Da:	6.24
IP(EA), eV:	-8.54(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2-bromo-5-methoxyphenyl)methyl]-2-methyl-1,3-benzoxazol-5-amine

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)Br)CNC2=CC=CC3=C2C=CN=C3

DOS

IR

Vibrations