Geometry & MOs

Info

ID:	403352
PubChem CID:	135059849
Reduced:	N2H16C19 (1)
Stoich.:	A2B16C19 (1)
Weight, g/mol:	338.137422
ΔH_f, kcal/mol:	76.97
Dipole, Da:	2.77
IP(EA), eV:	-8.4(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-(2,5-dimethoxyphenyl)-8,9,9-trimethyl-1,4-dithiaspiro[4.4]nonane

Drug info:

PubChemData

Smile

CCC1=NC2=C(C=C1C3=CC=CC=C3)NC4=CC=CC=C42

DOS

IR

Vibrations