Geometry & MOs

Info

ID:	412910
PubChem CID:	135085847
Reduced:	N2O2C10H15 (1)
Stoich.:	A2B2C10D15 (1)
Weight, g/mol:	266.87564
ΔH_f, kcal/mol:	-45.24
Dipole, Da:	5.02
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.757679
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-5-[(Z)-2-chloro-2-nitroethenyl]thiophene

Drug info:

PubChemData

Smile

C1CCC(=O)C(C1)CCC(=O)CN=[N-]

DOS

IR

Vibrations