Geometry & MOs

Info

ID:	437298
PubChem CID:	135222164
Reduced:	O4C27H39 (2)
Stoich.:	A4B27C39 (2)
Weight, g/mol:	297.07283
ΔH_f, kcal/mol:	-390.41
Dipole, Da:	3.49
IP(EA), eV:	-8.73(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-bromo-7-(N-methylanilino)heptan-2-one

Drug info:

PubChemData

Smile

CCCCCC(OC1=CC=C(C=C1)C2CCC(CC2)CCC)OC3=CC(=C(C=C3C(=O)OCC)OC(CCCCC)OC4=CC=C(C=C4)C5CCC(CC5)CCC)C(=O)OCC

DOS

IR

Vibrations