Geometry & MOs

Info

ID:	228610
PubChem CID:	87565414
Reduced:	NOC13H26 (1)
Stoich.:	ABC13D26 (1)
Weight, g/mol:	291.108171
ΔH_f, kcal/mol:	-46.26
Dipole, Da:	6.36
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.757936
Charge, e:	0

Chem-info

IUPAC name:

N-(1-naphthalen-1-ylethyl)-1-thiophen-2-ylprop-2-yn-1-amine

Drug info:

PubChemData

Smile

CCC(C)[N+]1(CCCC(=O)C1)C(C)CC

DOS

IR

Vibrations