Geometry & MOs

Info

ID:	285004
PubChem CID:	104089789
Reduced:	O3H12C13 (1)
Stoich.:	A3B12C13 (1)
Weight, g/mol:	203.131014
ΔH_f, kcal/mol:	-52.69
Dipole, Da:	4.12
IP(EA), eV:	-9.45(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-pent-4-ynoxyphenyl)ethanamine

Drug info:

PubChemData

Smile

C#CCCCOC1=CC2=C(C=C1)C(=O)CO2

DOS

IR

Vibrations