Geometry & MOs

Info

ID:	249880
PubChem CID:	103092630
Reduced:	ON2C15H20 (1)
Stoich.:	AB2C15D20 (1)
Weight, g/mol:	257.073805
ΔH_f, kcal/mol:	11.4
Dipole, Da:	4.97
IP(EA), eV:	-8.96(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-4-(2,3-dichlorophenyl)-N-propylbut-3-en-2-amine

Drug info:

PubChemData

Smile

CCCNC(C)/C=C/C1=CC(=C(C=C1)OC)C#N

DOS

IR

Vibrations