Geometry & MOs

Info

ID:	80403
PubChem CID:	49834309
Reduced:	FON2C21H23 (1)
Stoich.:	ABC2D21E23 (1)
Weight, g/mol:	274.131742
ΔH_f, kcal/mol:	-25.58
Dipole, Da:	5.76
IP(EA), eV:	-9.04(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-amino-3-oxopropyl)-4-[(1S)-3-oxocyclopentyl]benzamide

Drug info:

PubChemData

Smile

C[C@H](C1=CC(=C(C=C1)F)OC)N[C@H]2CCC(C2)C3=CC=C(C=C3)C#N

DOS

IR

Vibrations