Geometry & MOs

Info

ID:	233067
PubChem CID:	87692378
Reduced:	BrON2H13C17 (1)
Stoich.:	ABC2D13E17 (1)
Weight, g/mol:	756.096756
ΔH_f, kcal/mol:	48.86
Dipole, Da:	5.74
IP(EA), eV:	-9.29(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=NC(=O)N(C3=CC=CC=C32)CC=CBr

DOS

IR

Vibrations