Geometry & MOs

Info

ID:	271781
PubChem CID:	103691423
Reduced:	N2O3C16H16 (1)
Stoich.:	A2B3C16D16 (1)
Weight, g/mol:	330.05791
ΔH_f, kcal/mol:	-33.46
Dipole, Da:	3.25
IP(EA), eV:	-8.43(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-N-[3-(2-methylpropoxy)propyl]-2-nitroaniline

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)CNC2=NC=CC3=C2C=CO3)OC

DOS

IR

Vibrations