Geometry & MOs

Info

ID:	28126
PubChem CID:	825748
Reduced:	NSO2C14H17 (1)
Stoich.:	ABC2D14E17 (1)
Weight, g/mol:	194.13068
ΔH_f, kcal/mol:	-47.59
Dipole, Da:	2.25
IP(EA), eV:	-8.65(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

spiro[1,3-dioxolane-2,2'-adamantane]

Drug info:

PubChemData

Smile

C1COCCN1C[C@@H](C2=CSC3=CC=CC=C32)O

DOS

IR

Vibrations