Geometry & MOs

Info

ID:	202590
PubChem CID:	79694361
Reduced:	ClNO2C11H12 (1)
Stoich.:	ABC2D11E12 (1)
Weight, g/mol:	267.092915
ΔH_f, kcal/mol:	-64.58
Dipole, Da:	6.64
IP(EA), eV:	-9.06(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-5-(4-hydroxybut-1-ynyl)-N-(2-hydroxyethyl)thiophene-3-carboxamide

Drug info:

PubChemData

Smile

CC1CN(C1)C2=C(C(=CC=C2)Cl)C(=O)O

DOS

IR

Vibrations