Geometry & MOs

Info

ID:	402276
PubChem CID:	135055301
Reduced:	BrO2C13H13 (1)
Stoich.:	AB2C13D13 (1)
Weight, g/mol:	320.117235
ΔH_f, kcal/mol:	-52.12
Dipole, Da:	4.58
IP(EA), eV:	-9.8(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1S)-1-(2-fluorophenyl)-2-nitroethyl]-2,4-dimethoxyaniline

Drug info:

PubChemData

Smile

C1CC=C([C@H](C1)O)C(=O)C2=CC=C(C=C2)Br

DOS

IR

Vibrations