Geometry & MOs

Info

ID:	287291
PubChem CID:	104234273
Reduced:	FON4C14H19 (1)
Stoich.:	ABC4D14E19 (1)
Weight, g/mol:	287.168543
ΔH_f, kcal/mol:	-22.42
Dipole, Da:	4.12
IP(EA), eV:	-9.21(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[(2,6-dimethylphenyl)methoxy]-3-fluorophenyl]-N-methylethanamine

Drug info:

PubChemData

Smile

CCN1C(=NC=N1)COC2=C(C=C(C=C2)C(C)NC)F

DOS

IR

Vibrations