Geometry & MOs

Info

ID:	387527
PubChem CID:	134985720
Reduced:	BrN2O3C10H15 (1)
Stoich.:	AB2C3D10E15 (1)
Weight, g/mol:	190.135765
ΔH_f, kcal/mol:	-60.86
Dipole, Da:	7.02
IP(EA), eV:	-10.35(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-2-[(E)-4-methylpent-2-enoxy]benzene

Drug info:

PubChemData

Smile

C[C@@]\12CCC([C@H](/C1=N\[N+](=O)[O-])Br)C(O2)(C)C

DOS

IR

Vibrations