Geometry & MOs

Info

ID:	49165
PubChem CID:	11528779
Reduced:	N2O2C13H18 (1)
Stoich.:	A2B2C13D18 (1)
Weight, g/mol:	234.16198
ΔH_f, kcal/mol:	-61.22
Dipole, Da:	7.08
IP(EA), eV:	-9.13(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2S,3'S,4R)-1,7,7-trimethyl-3'-(prop-2-ynoxymethyl)spiro[bicyclo[2.2.1]heptane-2,2'-oxirane]

Drug info:

PubChemData

Smile

CCCCCCCC1=CC2=C(O1)NC(=O)N=C2

DOS

IR

Vibrations