Geometry & MOs

Info

ID:	270570
PubChem CID:	103637152
Reduced:	ClNOSC14H16 (1)
Stoich.:	ABCDE14F16 (1)
Weight, g/mol:	315.025141
ΔH_f, kcal/mol:	-18.97
Dipole, Da:	4.29
IP(EA), eV:	-8.73(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,4-dichloro-6-[[(5-ethylthiophen-2-yl)methylamino]methyl]phenol

Drug info:

PubChemData

Smile

CCC1=CC=C(S1)CNCC2=C(C=CC(=C2)Cl)O

DOS

IR

Vibrations