Geometry & MOs

Info

ID:	161497
PubChem CID:	57391820
Reduced:	ClNO3C26H32 (1)
Stoich.:	ABC3D26E32 (1)
Weight, g/mol:	405.230394
ΔH_f, kcal/mol:	-120.08
Dipole, Da:	5.0
IP(EA), eV:	-8.56(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[1-methyl-6-(4-phenylbutan-2-yloxy)-3,4-dihydronaphthalen-2-yl]methyl]azetidine-3-carboxylic acid

Drug info:

PubChemData

Smile

CC1=C(CCC2=C1C=CC(=C2)OC(C)CCC3=CC=CC=C3)CN4CC(C4)C(=O)O.Cl

DOS

IR

Vibrations