Geometry & MOs

Info

ID:	300409
PubChem CID:	121270605
Reduced:	ClO2N6C27H29 (1)
Stoich.:	AB2C6D27E29 (1)
Weight, g/mol:	511.266066
ΔH_f, kcal/mol:	10.75
Dipole, Da:	9.38
IP(EA), eV:	-8.49(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[2-[[(2-naphthalen-2-ylbenzoyl)-(1,2,2,3-tetradeuteriocyclopropyl)amino]methyl]phenoxy]hexanoic acid

Drug info:

PubChemData

Smile

CC1(C2=C(C=CC(=C2)Cl)C(=O)N1C3=CN=CC(=C3)N4CC5(C4)CCN(CC5)C(=O)C6=CN(N=C6)C)C

DOS

IR

Vibrations