Geometry & MOs

Info

ID:	270094
PubChem CID:	103626996
Reduced:	OSCl2N2C10H10 (1)
Stoich.:	ABC2D2E10F10 (1)
Weight, g/mol:	246.136828
ΔH_f, kcal/mol:	-19.63
Dipole, Da:	3.29
IP(EA), eV:	-9.01(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-benzyl-N-(cyanomethyl)-2-propoxyacetamide

Drug info:

PubChemData

Smile

C1CSCCN1C(=O)C2=C(N=C(C=C2)Cl)Cl

DOS

IR

Vibrations