Geometry & MOs

Info

ID:	265473
PubChem CID:	103524105
Reduced:	BrClO2C13H16 (1)
Stoich.:	ABC2D13E16 (1)
Weight, g/mol:	313.06774
ΔH_f, kcal/mol:	-64.39
Dipole, Da:	1.42
IP(EA), eV:	-8.93(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-4-(3-bromo-2,4-dimethoxyphenyl)-N-ethylbut-3-en-1-amine

Drug info:

PubChemData

Smile

C/C(=C\CCCl)/C1=C(C(=C(C=C1)OC)Br)OC

DOS

IR

Vibrations