Geometry & MOs

Info

ID:	270571
PubChem CID:	103637153
Reduced:	NOSCl2C14H15 (1)
Stoich.:	ABCD2E14F15 (1)
Weight, g/mol:	277.11365
ΔH_f, kcal/mol:	-25.5
Dipole, Da:	4.99
IP(EA), eV:	-8.8(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[(5-ethylthiophen-2-yl)methylamino]methyl]-5-methoxyphenol

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations