Geometry & MOs

Info

ID:	249875
PubChem CID:	103092599
Reduced:	ClNO2C16H24 (1)
Stoich.:	ABC2D16E24 (1)
Weight, g/mol:	405.01259
ΔH_f, kcal/mol:	-68.45
Dipole, Da:	2.79
IP(EA), eV:	-8.35(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-4-(3,5-dibromo-2-propoxyphenyl)-N-propylbut-3-en-2-amine

Drug info:

PubChemData

Smile

CCCNC(C)/C=C/C1=CC(=C(C(=C1)Cl)OC)OCC

DOS

IR

Vibrations