Geometry & MOs

Info

ID:	79996
PubChem CID:	49832071
Reduced:	O2N5C25H25 (1)
Stoich.:	A2B5C25D25 (1)
Weight, g/mol:	455.207214
ΔH_f, kcal/mol:	28.66
Dipole, Da:	3.59
IP(EA), eV:	-9.06(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-[(3S)-3-[[(1R)-1-naphthalen-1-ylethyl]amino]cyclopentyl]-2-(trifluoromethyl)phenyl]propanoic acid

Drug info:

PubChemData

Smile

C1CN(C(=O)[C@H]1NCC2=CN=CN2CC3=CC=C(C=C3)C#N)C4CCOC5=CC=CC=C45

DOS

IR

Vibrations