Geometry & MOs

Info

ID:	203987
PubChem CID:	79897023
Reduced:	SN3O4C10H17 (1)
Stoich.:	AB3C4D10E17 (1)
Weight, g/mol:	258.136828
ΔH_f, kcal/mol:	-157.52
Dipole, Da:	5.17
IP(EA), eV:	-8.42(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2,6-dioxaspiro[4.5]decan-9-ylamino)benzonitrile

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1S(=O)(=O)N)N)NC(CO)CO

DOS

IR

Vibrations