Geometry & MOs

Info

ID:	322275
PubChem CID:	126669579
Reduced:	ON2F4H24C27 (1)
Stoich.:	AB2C4D24E27 (1)
Weight, g/mol:	440.209993
ΔH_f, kcal/mol:	-169.47
Dipole, Da:	3.68
IP(EA), eV:	-9.25(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[3-[1-[[(1R)-1-(3-methoxyphenyl)ethyl]amino]ethyl]naphthalen-1-yl]-3-methylpyridine-2-carboxylic acid

Drug info:

PubChemData

Smile

C[C@H](C1=CC(=CC(=C1)F)OC)NC(C)C2=NC3=CC=CC=C3C(=C2)C4=CC=C(C=C4)C(F)(F)F

DOS

IR

Vibrations