Geometry & MOs

Info

ID:	230504
PubChem CID:	87571135
Reduced:	N2C11H21 (1)
Stoich.:	A2B11C21 (1)
Weight, g/mol:	237.152892
ΔH_f, kcal/mol:	-0.34
Dipole, Da:	2.38
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.773222
Charge, e:	0

Chem-info

IUPAC name:

[2-fluoro-3-[(E)-hept-5-enoxy]phenyl]methanamine

Drug info:

PubChemData

Smile

CC(C)C[N+]1=CN(C=C1)C(C)(C)C

DOS

IR

Vibrations