Geometry & MOs

Info

ID:	247082
PubChem CID:	103067404
Reduced:	NOC15H23 (1)
Stoich.:	ABC15D23 (1)
Weight, g/mol:	297.07283
ΔH_f, kcal/mol:	-24.4
Dipole, Da:	2.44
IP(EA), eV:	-8.45(0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-bromo-3-methylphenoxy)methyl]-N-propan-2-ylprop-2-en-1-amine

Drug info:

PubChemData

Smile

CCCCC1=CC=C(C=C1)OCC(=C)CNC

DOS

IR

Vibrations