Geometry & MOs

Info

ID:	412147
PubChem CID:	135085021
Reduced:	OBr3N3H12C18 (1)
Stoich.:	AB3C3D12E18 (1)
Weight, g/mol:	299.199762
ΔH_f, kcal/mol:	86.26
Dipole, Da:	2.27
IP(EA), eV:	-9.1(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

C1[C@@H]2C(C3=CC=CC=C31)N4[C]N(N=C4CO2)C5=C(C=C(C=C5Br)Br)Br

DOS

IR

Vibrations