Geometry & MOs

Info

ID:	284044
PubChem CID:	104029619
Reduced:	BrN2O3H13C15 (1)
Stoich.:	AB2C3D13E15 (1)
Weight, g/mol:	300.99497
ΔH_f, kcal/mol:	-75.66
Dipole, Da:	5.85
IP(EA), eV:	-8.83(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1-methoxy-1-oxopropan-2-yl) 3-amino-2-bromobenzoate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)NC(=O)COC(=O)C2=C(C(=CC=C2)N)Br

DOS

IR

Vibrations