Geometry & MOs

Info

ID:	410902
PubChem CID:	135083703
Reduced:	OPC13H21 (1)
Stoich.:	ABC13D21 (1)
Weight, g/mol:	241.065827
ΔH_f, kcal/mol:	-7.35
Dipole, Da:	5.96
IP(EA), eV:	-10.02(1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-2-(3-phenylprop-2-ynyl)aniline

Drug info:

PubChemData

Smile

CCCCC#CP(=O)(C)C#CCCCC

DOS

IR

Vibrations