Geometry & MOs

Info

ID:	161498
PubChem CID:	57391821
Reduced:	NO3C26H31 (1)
Stoich.:	AB3C26D31 (1)
Weight, g/mol:	475.168099
ΔH_f, kcal/mol:	-87.34
Dipole, Da:	6.7
IP(EA), eV:	-8.39(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[6-[(2S)-3-(4-chlorophenyl)-2-methylpropoxy]-1-methyl-3,4-dihydronaphthalen-2-yl]methyl]azetidine-3-carboxylic acid;hydrochloride

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations