Geometry & MOs

Info

ID:	204012
PubChem CID:	79900437
Reduced:	NO3C17H25 (1)
Stoich.:	AB3C17D25 (1)
Weight, g/mol:	303.1293
ΔH_f, kcal/mol:	-129.52
Dipole, Da:	3.34
IP(EA), eV:	-8.69(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,5-dimethyl-4-(6-oxa-2-thiaspiro[4.5]decan-9-yloxy)benzonitrile

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)OC2CCOC3(C2)CCOCC3)CN

DOS

IR

Vibrations