Geometry & MOs

Info

ID:	368792
PubChem CID:	127330122
Reduced:	NO5C20H27 (1)
Stoich.:	AB5C20D27 (1)
Weight, g/mol:	238.131742
ΔH_f, kcal/mol:	-194.96
Dipole, Da:	4.44
IP(EA), eV:	-8.85(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(cyanomethyl)-N-cyclopropyl-2-(oxolan-3-ylmethoxy)acetamide

Drug info:

PubChemData

Smile

C1CCC(C1)(C2=CC3=C(C=C2)OCCO3)NC(=O)COCC4CCOC4

DOS

IR

Vibrations