Geometry & MOs

Info

ID:	249914
PubChem CID:	103092827
Reduced:	ON2C16H26 (1)
Stoich.:	AB2C16D26 (1)
Weight, g/mol:	241.103355
ΔH_f, kcal/mol:	-22.77
Dipole, Da:	0.98
IP(EA), eV:	-7.83(0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-4-(4-chloro-3-fluorophenyl)-N-propylbut-3-en-2-amine

Drug info:

PubChemData

Smile

CCCNC(C)/C=C/C1=CC=C(O1)N2CCCCC2

DOS

IR

Vibrations