Geometry & MOs

Info

ID:	145741
PubChem CID:	53585623
Reduced:	N3O3C19H19 (1)
Stoich.:	A3B3C19D19 (1)
Weight, g/mol:	311.163377
ΔH_f, kcal/mol:	-49.37
Dipole, Da:	2.54
IP(EA), eV:	-8.74(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,N-bis(cyanomethyl)-3-(3-cyclopentyloxyphenyl)propanamide

Drug info:

PubChemData

Smile

C1CC(OC1)C(=O)NC2=CC(=CC=C2)OCC3=CN4C=CC=CC4=N3

DOS

IR

Vibrations