Geometry & MOs

Info

ID:	374593
PubChem CID:	131331881
Reduced:	ClNOH8C12 (1)
Stoich.:	ABCD8E12 (1)
Weight, g/mol:	206.105528
ΔH_f, kcal/mol:	23.26
Dipole, Da:	4.79
IP(EA), eV:	-9.68(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-methoxy-7-methyl-1,3-benzoxazol-2-yl)ethanamine

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)C2=C(C=CC=N2)Cl)C=O

DOS

IR

Vibrations