Geometry & MOs

Info

ID:	171901
PubChem CID:	75438979
Reduced:	ON3C16H21 (1)
Stoich.:	AB3C16D21 (1)
Weight, g/mol:	314.199428
ΔH_f, kcal/mol:	-10.17
Dipole, Da:	2.65
IP(EA), eV:	-10.12(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(2-methoxyphenyl)-1-(8-methyl-1,8-diazaspiro[4.5]decan-1-yl)prop-2-en-1-one

Drug info:

PubChemData

Smile

CC(C)(CNC(=O)C1(CCCC1)C#N)C2=CC=NC=C2

DOS

IR

Vibrations