Geometry & MOs

Info

ID:	284047
PubChem CID:	104029667
Reduced:	BrN2O3C14H19 (1)
Stoich.:	AB2C3D14E19 (1)
Weight, g/mol:	300.01095
ΔH_f, kcal/mol:	-130.54
Dipole, Da:	6.98
IP(EA), eV:	-9.17(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-amino-2-methyl-3-oxopropyl) 3-amino-2-bromobenzoate

Drug info:

PubChemData

Smile

CC(C)CNC(=O)C(C)OC(=O)C1=C(C(=CC=C1)N)Br

DOS

IR

Vibrations