Geometry & MOs

Info

ID:	210983
PubChem CID:	80880911
Reduced:	BrO2N3C13H20 (1)
Stoich.:	AB2C3D13E20 (1)
Weight, g/mol:	266.126657
ΔH_f, kcal/mol:	-66.55
Dipole, Da:	3.82
IP(EA), eV:	-8.93(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-3-nitro-5-(oxan-4-ylmethoxy)aniline

Drug info:

PubChemData

Smile

CCCNC1=NC=C(C(=N1)OCC2CCOCC2)Br

DOS

IR

Vibrations