Geometry & MOs

Info

ID:	249868
PubChem CID:	103092579
Reduced:	NO2C17H25 (1)
Stoich.:	AB2C17D25 (1)
Weight, g/mol:	301.02329
ΔH_f, kcal/mol:	-66.43
Dipole, Da:	2.93
IP(EA), eV:	-8.36(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-4-(3-bromo-4-chlorophenyl)-N-propylbut-3-en-2-amine

Drug info:

PubChemData

Smile

CCCNC(C)/C=C/C1=C(C=C2CC(OC2=C1)C)OC

DOS

IR

Vibrations