Geometry & MOs

Info

ID:	143464
PubChem CID:	53212801
Reduced:	O2N4C17H18 (1)
Stoich.:	A2B4C17D18 (1)
Weight, g/mol:	174.026999
ΔH_f, kcal/mol:	-17.49
Dipole, Da:	4.87
IP(EA), eV:	-8.52(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(chloromethyl)-3-ethyl-2-methylthiophene

Drug info:

PubChemData

Smile

C1CN(CCN(C1)C(=O)O)C2=NC3=CC=CC=C3N4C2=CC=C4

DOS

IR

Vibrations