Geometry & MOs

Info

ID:	230424
PubChem CID:	87570870
Reduced:	NTiC5H5 (1)
Stoich.:	ABC5D5 (1)
Weight, g/mol:	233.177964
ΔH_f, kcal/mol:	73.18
Dipole, Da:	2.55
IP(EA), eV:	-7.37(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-[(E)-oct-2-enoxy]phenyl]methanamine

Drug info:

PubChemData

Smile

C1=CC=NC=C1.[Ti]

DOS

IR

Vibrations