Geometry & MOs

Info

ID:	294948
PubChem CID:	117507494
Reduced:	BrN2O3C13H13 (1)
Stoich.:	AB2C3D13E13 (1)
Weight, g/mol:	325.03136
ΔH_f, kcal/mol:	-57.31
Dipole, Da:	2.0
IP(EA), eV:	-8.69(-1.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-bromo-3-cyclopentyloxy-5-(isocyanatomethyl)-2-methoxybenzene

Drug info:

PubChemData

Smile

CC(C)C1=CC(=O)/C(=C\2/C=C(NN2)C(=O)O)/C=C1Br

DOS

IR

Vibrations