Geometry & MOs

Info

ID:	49205
PubChem CID:	11528909
Reduced:	NO4C13H15 (1)
Stoich.:	AB4C13D15 (1)
Weight, g/mol:	252.172545
ΔH_f, kcal/mol:	-84.12
Dipole, Da:	5.79
IP(EA), eV:	-10.21(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(6R,9R)-6-methyl-9-prop-1-en-2-yl-1,4-dioxaspiro[4.5]decan-6-yl]propanal

Drug info:

PubChemData

Smile

C1CCC(=O)[C@@H](C1)[C@H](C2=CC=CC=C2[N+](=O)[O-])O

DOS

IR

Vibrations