Geometry & MOs

Info

ID:	182882
PubChem CID:	76949362
Reduced:	BrNO3C13H16 (1)
Stoich.:	ABC3D13E16 (1)
Weight, g/mol:	263.152144
ΔH_f, kcal/mol:	-28.99
Dipole, Da:	5.86
IP(EA), eV:	-9.29(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-methyl-2-nitropent-1-enyl)-2-propan-2-yloxybenzene

Drug info:

PubChemData

Smile

CC(C)CC(=CC1=CC(=C(C=C1)OC)Br)[N+](=O)[O-]

DOS

IR

Vibrations