Geometry & MOs

Info

ID:	294814
PubChem CID:	117498121
Reduced:	BrO4C13H13 (1)
Stoich.:	AB4C13D13 (1)
Weight, g/mol:	312.01095
ΔH_f, kcal/mol:	-123.73
Dipole, Da:	3.5
IP(EA), eV:	-8.92(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-bromo-4,5-dimethoxy-2-methylphenyl)-1,2-oxazol-5-amine

Drug info:

PubChemData

Smile

CC1=C(C(=CC2=C1OCO2)C3(CC3)CC(=O)O)Br

DOS

IR

Vibrations