Geometry & MOs

Info

ID:	258858
PubChem CID:	103157256
Reduced:	NO2C7H13 (2)
Stoich.:	AB2C7D13 (2)
Weight, g/mol:	267.163457
ΔH_f, kcal/mol:	-210.92
Dipole, Da:	3.43
IP(EA), eV:	-8.95(0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-cyclopentyl-3-(3-fluoro-4-methoxyanilino)propan-2-ol

Drug info:

PubChemData

Smile

CC(CC(=O)NCC(CC(=O)O)OC)C1CCCNC1

DOS

IR

Vibrations