Geometry & MOs

Info

ID:	249915
PubChem CID:	103092840
Reduced:	ClFNC13H17 (1)
Stoich.:	ABCD13E17 (1)
Weight, g/mol:	267.06226
ΔH_f, kcal/mol:	-37.55
Dipole, Da:	3.73
IP(EA), eV:	-9.15(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-4-(2-bromophenyl)-N-propylbut-3-en-2-amine

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations