Geometry & MOs

Info

ID:	218273
PubChem CID:	85089114
Reduced:	O2C6H7 (4)
Stoich.:	A2B6C7 (4)
Weight, g/mol:	444.204907
ΔH_f, kcal/mol:	-280.67
Dipole, Da:	2.62
IP(EA), eV:	-8.4(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-(2-methoxyphenyl)phenyl]-2-[(1-pyridin-3-ylcyclopentanecarbonyl)amino]propanoic acid

Drug info:

PubChemData

Smile

CC1CC2=CC(=C(C(=C2C3=C(C4=C(C=C3C(C1C)OC(=O)C)OCO4)O)OC)OC)OC

DOS

IR

Vibrations