Geometry & MOs

Info

ID:	190358
PubChem CID:	77991630
Reduced:	FNO2C12H14 (1)
Stoich.:	ABC2D12E14 (1)
Weight, g/mol:	430.05282
ΔH_f, kcal/mol:	-74.81
Dipole, Da:	2.17
IP(EA), eV:	-9.57(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(2-bromophenyl)-1-(furan-2-yl)-2-nitropropyl]-4-methoxyaniline

Drug info:

PubChemData

Smile

CC=C(C)C1=C(C=CC(=C1)F)C(=O)NOC

DOS

IR

Vibrations