Geometry & MOs

Info

ID:	148718
PubChem CID:	53788387
Reduced:	NCl3O3C20H36 (1)
Stoich.:	AB3C3D20E36 (1)
Weight, g/mol:	173.990614
ΔH_f, kcal/mol:	-207.67
Dipole, Da:	2.27
IP(EA), eV:	-10.13(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(5-chlorothiophen-2-yl)propanal

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCC=CC(C(CO)NC(=O)C(Cl)(Cl)Cl)O

DOS

IR

Vibrations