Geometry & MOs

Info

ID:	343479
PubChem CID:	127266652
Reduced:	NSO3C17H21 (1)
Stoich.:	ABC3D17E21 (1)
Weight, g/mol:	271.157229
ΔH_f, kcal/mol:	-99.16
Dipole, Da:	7.51
IP(EA), eV:	-8.44(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethyl-6-[[(2-methoxyphenyl)methylamino]methyl]phenol

Drug info:

PubChemData

Smile

CCC1=C(C(=CC=C1)CNC2=CC=CC=C2CS(=O)(=O)C)O

DOS

IR

Vibrations