Geometry & MOs

Info

ID:	161496
PubChem CID:	57391813
Reduced:	O3N4H18C22 (1)
Stoich.:	A3B4C18D22 (1)
Weight, g/mol:	441.207072
ΔH_f, kcal/mol:	14.39
Dipole, Da:	2.92
IP(EA), eV:	-9.14(-1.08)
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;hydrochloride

Drug info:

PubChemData

Smile

C1CNC(=O)C2=CC3=C(N2C1)C=C(C=C3)C(=O)NC4=CC(=NO4)C5=CC=CC=C5

DOS

IR

Vibrations