Geometry & MOs

Info

ID:	22751
PubChem CID:	598464
Reduced:	FNO2C10H14 (1)
Stoich.:	ABC2D10E14 (1)
Weight, g/mol:	199.100857
ΔH_f, kcal/mol:	-101.25
Dipole, Da:	1.28
IP(EA), eV:	-8.78(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-fluoro-3,4-dimethoxyphenyl)ethanamine

Drug info:

PubChemData

Smile

COC1=C(C(=C(C=C1)CCN)F)OC

DOS

IR

Vibrations