Geometry & MOs

Info

ID:	258794
PubChem CID:	103157041
Reduced:	N2O4C15H22 (1)
Stoich.:	A2B4C15D22 (1)
Weight, g/mol:	255.143471
ΔH_f, kcal/mol:	-165.04
Dipole, Da:	4.27
IP(EA), eV:	-9.47(0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-cyclopentyl-3-(2,5-difluoroanilino)propan-2-ol

Drug info:

PubChemData

Smile

COC(CC(=O)O)CNC(=O)[C@H](CCC1=CC=CC=C1)N

DOS

IR

Vibrations