Geometry & MOs

Info

ID:	322326
PubChem CID:	126669757
Reduced:	ON2C30H30 (1)
Stoich.:	AB2C30D30 (1)
Weight, g/mol:	479.209658
ΔH_f, kcal/mol:	50.1
Dipole, Da:	2.33
IP(EA), eV:	-8.31(-0.2)
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-methyl-1-benzofuran-2-carboxylic acid

Drug info:

PubChemData

Smile

C[C@H](C1=CC(=CC=C1)OC)NC(C)C2=CC3=CC=CC=C3C(=C2)C4=CC5=C(C=C4)N(C=C5)C

DOS

IR

Vibrations