Geometry & MOs

Info

ID:	376149
PubChem CID:	134222152
Reduced:	BrO3N5C13H14 (1)
Stoich.:	AB3C5D13E14 (1)
Weight, g/mol:	302.98949
ΔH_f, kcal/mol:	-63.41
Dipole, Da:	5.4
IP(EA), eV:	-9.63(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-bromophenyl)-2-formylbenzamide

Drug info:

PubChemData

Smile

CCOC(=O)C(C1=C(C=C(C=N1)Br)N2C=CC(=NC2=O)N)N

DOS

IR

Vibrations