Geometry & MOs

Info

ID:	176035
PubChem CID:	75984987
Reduced:	O4C25H46 (1)
Stoich.:	A4B25C46 (1)
Weight, g/mol:	412.9449
ΔH_f, kcal/mol:	-266.98
Dipole, Da:	3.6
IP(EA), eV:	-9.54(0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,4-dibromo-6-[[(1-hydroxy-3-phenylpropan-2-yl)amino]methylidene]cyclohexa-2,4-dien-1-one

Drug info:

PubChemData

Smile

CCCCCCCCC=CCCCCCCCC(=O)OC(C)OC(=O)C(C)(C)C

DOS

IR

Vibrations