Geometry & MOs

Info

ID:	249905
PubChem CID:	103092786
Reduced:	BrClNC13H17 (1)
Stoich.:	ABCD13E17 (1)
Weight, g/mol:	289.123342
ΔH_f, kcal/mol:	11.55
Dipole, Da:	1.73
IP(EA), eV:	-9.01(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-4-[5-(4-chlorophenyl)furan-2-yl]-N-propylbut-3-en-2-amine

Drug info:

PubChemData

Smile

CCCNC(C)/C=C/C1=C(C=CC(=C1)Cl)Br

DOS

IR

Vibrations