Geometry & MOs

Info

ID:	259172
PubChem CID:	103158476
Reduced:	FN2O4C13H17 (1)
Stoich.:	AB2C4D13E17 (1)
Weight, g/mol:	224.188863
ΔH_f, kcal/mol:	-215.82
Dipole, Da:	1.89
IP(EA), eV:	-8.95(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(3-cyclopentyl-2-hydroxypropyl)-methylamino]butanenitrile

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)NCC(CC(=O)O)OC)F

DOS

IR

Vibrations