Geometry & MOs

Info

ID:	353475
PubChem CID:	127285034
Reduced:	FN2O3C22H31 (1)
Stoich.:	AB2C3D22E31 (1)
Weight, g/mol:	319.225977
ΔH_f, kcal/mol:	-172.69
Dipole, Da:	2.76
IP(EA), eV:	-8.95(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-cyano-N-[(4-pyrrolidin-1-yloxan-4-yl)methyl]cyclohexane-1-carboxamide

Drug info:

PubChemData

Smile

C1CCN(C1)C2(CCOCC2)CNC(=O)C3(CCOCC3)C4=CC(=CC=C4)F

DOS

IR

Vibrations