Geometry & MOs

Info

ID:	297776
PubChem CID:	117630371
Reduced:	N5H17C24 (1)
Stoich.:	A5B17C24 (1)
Weight, g/mol:	471.240959
ΔH_f, kcal/mol:	155.93
Dipole, Da:	2.96
IP(EA), eV:	-9.0(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[2-[[cyclopropyl-[4-(3-methylphenyl)benzoyl]amino]methyl]phenoxy]hexanoic acid

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)NC(=N2)CC3=CC=C(C=C3)C4=CC(=C(C=C4)C#N)C5=NC=CN5

DOS

IR

Vibrations