Geometry & MOs

Info

ID:	126203
PubChem CID:	50955536
Reduced:	SO2N3C17H19 (1)
Stoich.:	AB2C3D17E19 (1)
Weight, g/mol:	285.172879
ΔH_f, kcal/mol:	-43.74
Dipole, Da:	2.02
IP(EA), eV:	-8.93(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[1-(2-methoxyphenyl)ethyl-methylamino]methyl]-4-methylphenol

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NCC2=C(C=CS2)C)N3CCNC3=O

DOS

IR

Vibrations