Geometry & MOs

Info

ID:	233484
PubChem CID:	90944841
Reduced:	ClON3C13H14 (1)
Stoich.:	ABC3D13E14 (1)
Weight, g/mol:	176.032957
ΔH_f, kcal/mol:	-14.0
Dipole, Da:	5.02
IP(EA), eV:	-9.02(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-methyl-1,3-dithiolan-2-yl)propanal

Drug info:

PubChemData

Smile

CC1=C(C2=C(C=CN2)C(=N1)Cl)C(=O)N3CCCC3

DOS

IR

Vibrations