Geometry & MOs

Info

ID:	182373
PubChem CID:	76882343
Reduced:	O3N4C13H14 (1)
Stoich.:	A3B4C13D14 (1)
Weight, g/mol:	211.076392
ΔH_f, kcal/mol:	-35.54
Dipole, Da:	4.82
IP(EA), eV:	-9.24(-2.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-(3-chloroprop-2-enoxy)phenyl]ethanamine

Drug info:

PubChemData

Smile

CNCCCC(=O)NC1=CC=CC2=C1C(=O)N=NC2=O

DOS

IR

Vibrations