Geometry & MOs

Info

ID:	249906
PubChem CID:	103092794
Reduced:	ClNOC17H20 (1)
Stoich.:	ABCD17E20 (1)
Weight, g/mol:	289.104498
ΔH_f, kcal/mol:	0.44
Dipole, Da:	3.41
IP(EA), eV:	-8.56(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-4-[5-chloro-2-(difluoromethoxy)phenyl]-N-propylbut-3-en-2-amine

Drug info:

PubChemData

Smile

CCCNC(C)/C=C/C1=CC=C(O1)C2=CC=C(C=C2)Cl

DOS

IR

Vibrations