Geometry & MOs

Info

ID:	163355
PubChem CID:	57840814
Reduced:	OCl2N4H18C19 (1)
Stoich.:	AB2C4D18E19 (1)
Weight, g/mol:	529.355594
ΔH_f, kcal/mol:	5.73
Dipole, Da:	5.86
IP(EA), eV:	-8.52(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-[[3-cyclopentylpropanoyl-[(4-dec-1-ynylphenyl)methyl]amino]methyl]phenyl]propanoic acid

Drug info:

PubChemData

Smile

CN1C=CC2=C1C(=CN=C2NC3=CC(=CC(=C3)Cl)Cl)C(=O)N4CCCC4

DOS

IR

Vibrations