Geometry & MOs

Info

ID:	179861
PubChem CID:	76545403
Reduced:	NPSO8C13H16 (1)
Stoich.:	ABCD8E13F16 (1)
Weight, g/mol:	224.106196
ΔH_f, kcal/mol:	-370.59
Dipole, Da:	4.23
IP(EA), eV:	-8.98(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-naphthalen-2-yltriazolidine-4-carbonitrile

Drug info:

PubChemData

Smile

COC1=C2C(=CC=C1)SC(=N2)C3C(C(C(O3)COP(=O)(O)O)O)O

DOS

IR

Vibrations