Geometry & MOs

Info

ID:	189964
PubChem CID:	77933772
Reduced:	OF3H27C28 (1)
Stoich.:	AB3C27D28 (1)
Weight, g/mol:	287.168543
ΔH_f, kcal/mol:	-126.25
Dipole, Da:	2.11
IP(EA), eV:	-9.29(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3-fluoro-4-methoxyphenyl)methyl]-1-phenylbutan-2-amine

Drug info:

PubChemData

Smile

CC=CCCC1CCC(OC1)C2=CC(=C(C=C2)C3=CC=C(C=C3)C4=C(C(=CC=C4)F)F)F

DOS

IR

Vibrations