Geometry & MOs

Info

ID:	389949
PubChem CID:	134996162
Reduced:	ClO3C11H13 (1)
Stoich.:	AB3C11D13 (1)
Weight, g/mol:	466.77405
ΔH_f, kcal/mol:	-59.68
Dipole, Da:	1.66
IP(EA), eV:	-10.29(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1E,3Z)-2,3,4,5-tetrabromo-N-butylhexa-1,3,5-trien-1-amine

Drug info:

PubChemData

Smile

C[C@H](C[C@@H]1[C@H](O1)C=C)OC(=O)C=C=CCl

DOS

IR

Vibrations