Geometry & MOs

Info

ID:	146616
PubChem CID:	53718393
Reduced:	ClBr2O2N4C27H31 (1)
Stoich.:	AB2C2D4E27F31 (1)
Weight, g/mol:	183.106673
ΔH_f, kcal/mol:	-63.03
Dipole, Da:	6.03
IP(EA), eV:	-9.08(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

C1CNC(=O)N(C1)CCCC(=O)N2CCC(CC2)[C@@H]3C4=C(CCC5=C3N=CC(=C5)Br)C=C(C=C4Br)Cl

DOS

IR

Vibrations