Geometry & MOs

Info

ID:	205965
PubChem CID:	80184714
Reduced:	NF2O3C15H17 (1)
Stoich.:	AB2C3D15E17 (1)
Weight, g/mol:	250.204513
ΔH_f, kcal/mol:	-213.61
Dipole, Da:	4.54
IP(EA), eV:	-9.38(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-cyanopropyl)-N-methyl-1-(2-methylpropyl)cyclopentane-1-carboxamide

Drug info:

PubChemData

Smile

COC(=O)C1CCCN(C1)C(=O)CC2=C(C=CC=C2F)F

DOS

IR

Vibrations