Geometry & MOs

Info

ID:	260713
PubChem CID:	103201108
Reduced:	ON3C6H8 (2)
Stoich.:	AB3C6D8 (2)
Weight, g/mol:	285.136493
ΔH_f, kcal/mol:	-1.81
Dipole, Da:	5.08
IP(EA), eV:	-8.99(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(3,4-dihydro-1H-isochromen-1-ylmethoxy)-2-methoxyaniline

Drug info:

PubChemData

Smile

C1CN(CCC1C(=O)O)C2=NN3C(=CC=NC3=N2)CN

DOS

IR

Vibrations