Geometry & MOs

Info

ID:	247084
PubChem CID:	103067441
Reduced:	BrNO2C12H16 (1)
Stoich.:	ABC2D12E16 (1)
Weight, g/mol:	236.116092
ΔH_f, kcal/mol:	-32.35
Dipole, Da:	2.96
IP(EA), eV:	-8.86(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-2-[(2-methyl-4-nitrophenoxy)methyl]prop-2-en-1-amine

Drug info:

PubChemData

Smile

CNCC(=C)COC1=C(C=CC=C1Br)OC

DOS

IR

Vibrations