Geometry & MOs

Info

ID:	259182
PubChem CID:	103158517
Reduced:	N3O4C12H17 (1)
Stoich.:	A3B4C12D17 (1)
Weight, g/mol:	245.141579
ΔH_f, kcal/mol:	-150.1
Dipole, Da:	9.84
IP(EA), eV:	-10.14(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-cyclopentyl-2-hydroxypropoxy)benzonitrile

Drug info:

PubChemData

Smile

COC(CC(=O)O)CNC(=O)NCC1=CN=CC=C1

DOS

IR

Vibrations