Geometry & MOs

Info

ID:	49492
PubChem CID:	11533111
Reduced:	FN6C29H29 (1)
Stoich.:	AB6C29D29 (1)
Weight, g/mol:	480.298808
ΔH_f, kcal/mol:	78.07
Dipole, Da:	5.34
IP(EA), eV:	-8.46(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-2-[4-[2-[[3-methyl-1-(2-piperidin-1-ylphenyl)butyl]amino]-2-oxoethyl]phenoxy]butanoic acid

Drug info:

PubChemData

Smile

CC(C)NCC1=CC2=NC(=C(N2C=C1)C3=CN=C(N=C3)NC(C)C4=CC=CC=C4)C5=CC=C(C=C5)F

DOS

IR

Vibrations