Geometry & MOs

Info

ID:	249889
PubChem CID:	103092686
Reduced:	NOC15H21 (1)
Stoich.:	ABC15D21 (1)
Weight, g/mol:	257.073805
ΔH_f, kcal/mol:	-20.73
Dipole, Da:	3.26
IP(EA), eV:	-8.41(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCNC(C)/C=C/C1=CC2=C(C=C1)OCC2

DOS

IR

Vibrations