Geometry & MOs

Info

ID:	259073
PubChem CID:	103158155
Reduced:	ON2C16H30 (1)
Stoich.:	AB2C16D30 (1)
Weight, g/mol:	262.148141
ΔH_f, kcal/mol:	-85.22
Dipole, Da:	2.01
IP(EA), eV:	-8.72(2.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(3-cyclopentyl-2-hydroxypropyl)amino]-3-fluorobenzonitrile

Drug info:

PubChemData

Smile

C1CCC(C1)CC(CNC2CCN3CCCC3C2)O

DOS

IR

Vibrations