Geometry & MOs

Info

ID:	284043
PubChem CID:	104029617
Reduced:	BrNO2H14C15 (1)
Stoich.:	ABC2D14E15 (1)
Weight, g/mol:	348.01095
ΔH_f, kcal/mol:	-43.47
Dipole, Da:	2.9
IP(EA), eV:	-8.84(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-anilino-2-oxoethyl) 3-amino-2-bromobenzoate

Drug info:

PubChemData

Smile

CC1=CC=CC=C1COC(=O)C2=C(C(=CC=C2)N)Br

DOS

IR

Vibrations