Geometry & MOs

Info

ID:	310176
PubChem CID:	126576179
Reduced:	IOSN4H7C8 (1)
Stoich.:	ABCD4E7F8 (1)
Weight, g/mol:	258.146724
ΔH_f, kcal/mol:	93.16
Dipole, Da:	5.1
IP(EA), eV:	-8.98(-1.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

butyl 8-hydroxy-1,4-dioxaspiro[4.5]decane-8-carboxylate

Drug info:

PubChemData

Smile

CSC1=CC=CC(=C1I)N2C(=O)N=NN2

DOS

IR

Vibrations