Geometry & MOs

Info

ID:	395005
PubChem CID:	135024398
Reduced:	O5C13H14 (1)
Stoich.:	A5B13C14 (1)
Weight, g/mol:	215.1674
ΔH_f, kcal/mol:	-192.57
Dipole, Da:	5.72
IP(EA), eV:	-10.38(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-phenylnon-4-yn-3-amine

Drug info:

PubChemData

Smile

CC12[C@@H](CC(C3=C1CCC3=O)OC2=O)C(=O)OC

DOS

IR

Vibrations