Geometry & MOs

Info

ID:	201547
PubChem CID:	79554379
Reduced:	SO2N3C13H15 (1)
Stoich.:	AB2C3D13E15 (1)
Weight, g/mol:	275.188529
ΔH_f, kcal/mol:	-31.39
Dipole, Da:	4.64
IP(EA), eV:	-9.37(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(2-bicyclo[2.2.1]heptanylmethoxy)-3-ethoxyphenyl]methanamine

Drug info:

PubChemData

Smile

CC(C)N1C=NC=C1CSC2=CC(=NC=C2)C(=O)O

DOS

IR

Vibrations