Geometry & MOs

Info

ID:	384081
PubChem CID:	134976305
Reduced:	NSO2C13H14 (2)
Stoich.:	ABC2D13E14 (2)
Weight, g/mol:	364.370516
ΔH_f, kcal/mol:	-50.13
Dipole, Da:	7.76
IP(EA), eV:	-9.12(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

pentacos-4-yn-1-ol

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(=CC2)C#CC3=CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)C

DOS

IR

Vibrations