Geometry & MOs

Info

ID:	320530
PubChem CID:	126661600
Reduced:	N3H8C10 (2)
Stoich.:	A3B8C10 (2)
Weight, g/mol:	435.169057
ΔH_f, kcal/mol:	162.48
Dipole, Da:	3.01
IP(EA), eV:	-8.45(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(4-methylidenespiro[4.5]decan-8-yl)phenyl]-1-(2-thiophen-2-yl-4,5-dihydro-1,3-thiazol-4-yl)ethanone

Drug info:

PubChemData

Smile

CC(=C)NC1=NN(C=C1C2=CC=CC(=C2)C#N)C3=C4C=CNC4=NC=C3

DOS

IR

Vibrations