Geometry & MOs

Info

ID:	202583
PubChem CID:	79691426
Reduced:	FOC19H21 (1)
Stoich.:	ABC19D21 (1)
Weight, g/mol:	338.988755
ΔH_f, kcal/mol:	-76.23
Dipole, Da:	3.02
IP(EA), eV:	-9.37(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,4-dichlorophenyl)-5-(4-hydroxybut-1-ynyl)thiophene-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)F)C2(CCC(CC2)C3=CC=CC=C3)O

DOS

IR

Vibrations