Geometry & MOs

Info

ID:	322447
PubChem CID:	126670183
Reduced:	ClN2F3H22C26 (1)
Stoich.:	AB2C3D22E26 (1)
Weight, g/mol:	421.215413
ΔH_f, kcal/mol:	-88.28
Dipole, Da:	4.63
IP(EA), eV:	-9.23(-1.03)
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-carbonitrile

Drug info:

PubChemData

Smile

C[C@H](C1=CC(=CC=C1)Cl)NC(C)C2=CC3=CC=CC=C3C(=N2)C4=CC=C(C=C4)C(F)(F)F

DOS

IR

Vibrations