Geometry & MOs

Info

ID:	23472
PubChem CID:	603896
Reduced:	BrN2O2H13C20 (1)
Stoich.:	AB2C2D13E20 (1)
Weight, g/mol:	392.01604
ΔH_f, kcal/mol:	24.53
Dipole, Da:	5.23
IP(EA), eV:	-8.96(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(1,3-benzoxazol-2-yl)phenyl]-2-bromobenzamide

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C(=O)NC2=CC=CC(=C2)C3=NC4=CC=CC=C4O3)Br

DOS

IR

Vibrations