Geometry & MOs

Info

ID:	322277
PubChem CID:	126669581
Reduced:	FN2O3C28H31 (1)
Stoich.:	AB2C3D28E31 (1)
Weight, g/mol:	426.194343
ΔH_f, kcal/mol:	-125.75
Dipole, Da:	3.87
IP(EA), eV:	-8.88(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C2=C3CCCCC3=NC(=C2)CN[C@H](C)C4=CC(=C(C=C4)F)OC)C(=O)OC

DOS

IR

Vibrations