Geometry & MOs

Info

ID:	182375
PubChem CID:	76882644
Reduced:	O2N3H15C16 (1)
Stoich.:	A2B3C15D16 (1)
Weight, g/mol:	253.123342
ΔH_f, kcal/mol:	29.61
Dipole, Da:	5.89
IP(EA), eV:	-8.85(-1.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(3-chloroprop-2-enoxy)phenyl]-N-ethylpropan-1-amine

Drug info:

PubChemData

Smile

C1=CC2C(=NC(=NC2=O)COC3=CC=C(C=C3)CN)C=C1

DOS

IR

Vibrations