Geometry & MOs

Info

ID:	45363
PubChem CID:	10512013
Reduced:	N2H10C13 (1)
Stoich.:	A2B10C13 (1)
Weight, g/mol:	194.167065
ΔH_f, kcal/mol:	79.5
Dipole, Da:	1.42
IP(EA), eV:	-8.71(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,4S,6R)-2,4-dimethyl-10-methylidene-1-oxaspiro[5.5]undecane

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=CN2C3=CC=NC=C3

DOS

IR

Vibrations