Geometry & MOs

Info

ID:	249713
PubChem CID:	103091512
Reduced:	NF2O2C12H15 (1)
Stoich.:	AB2C2D12E15 (1)
Weight, g/mol:	334.93434
ΔH_f, kcal/mol:	-155.26
Dipole, Da:	2.07
IP(EA), eV:	-9.06(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-4-(3,5-dibromo-2-methoxyphenyl)but-3-en-2-amine

Drug info:

PubChemData

Smile

CC(/C=C/C1=C(C(=CC=C1)OC)OC(F)F)N

DOS

IR

Vibrations