Geometry & MOs

Info

ID:	131155
PubChem CID:	51166813
Reduced:	NO4C21H23 (1)
Stoich.:	AB4C21D23 (1)
Weight, g/mol:	285.172879
ΔH_f, kcal/mol:	-130.99
Dipole, Da:	2.45
IP(EA), eV:	-8.78(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[(3-methoxyphenyl)methyl-methylamino]methyl]-4,5-dimethylphenol

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)C(=O)CCC(=O)NCC2COC3=CC=CC=C3O2

DOS

IR

Vibrations