Geometry & MOs

Info

ID:	171900
PubChem CID:	75438854
Reduced:	F2O2N5H13C16 (1)
Stoich.:	A2B2C5D13E16 (1)
Weight, g/mol:	271.168462
ΔH_f, kcal/mol:	-73.87
Dipole, Da:	5.25
IP(EA), eV:	-8.93(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-cyano-N-(2-methyl-2-pyridin-4-ylpropyl)cyclopentane-1-carboxamide

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1F)F)OC2=NC=C(C=C2)NC(=O)NCC3=NC=CN3

DOS

IR

Vibrations