Geometry & MOs

Info

ID:	42519
PubChem CID:	8149655
Reduced:	O2S2N3C21H21 (1)
Stoich.:	A2B2C3D21E21 (1)
Weight, g/mol:	356.082024
ΔH_f, kcal/mol:	-0.69
Dipole, Da:	3.22
IP(EA), eV:	-8.44(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[2-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl-(2-hydroxyethyl)azanium

Drug info:

PubChemData

Smile

C[C@@H](C1=NC2=C(C(=CS2)C3=CC=CS3)C(=O)N1)NCCC4=CC=C(C=C4)OC

DOS

IR

Vibrations