Geometry & MOs

Info

ID:	23483
PubChem CID:	603930
Reduced:	BrNO3H14C17 (1)
Stoich.:	ABC3D14E17 (1)
Weight, g/mol:	359.01571
ΔH_f, kcal/mol:	-58.87
Dipole, Da:	5.3
IP(EA), eV:	-9.03(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[[3-(4-bromophenyl)-3-oxoprop-1-enyl]amino]benzoate

Drug info:

PubChemData

Smile

COC(=O)C1=CC=CC=C1NC=CC(=O)C2=CC=C(C=C2)Br

DOS

IR

Vibrations