Geometry & MOs

Info

ID:	249904
PubChem CID:	103092775
Reduced:	ON2C15H22 (1)
Stoich.:	AB2C15D22 (1)
Weight, g/mol:	301.02329
ΔH_f, kcal/mol:	-32.33
Dipole, Da:	2.29
IP(EA), eV:	-8.54(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-4-(2-bromo-5-chlorophenyl)-N-propylbut-3-en-2-amine

Drug info:

PubChemData

Smile

CCCNC(C)/C=C/C1=CC=C(C=C1)NC(=O)C

DOS

IR

Vibrations