Geometry & MOs

Info

ID:	50082
PubChem CID:	12012585
Reduced:	NSO3C10H13 (1)
Stoich.:	ABC3D10E13 (1)
Weight, g/mol:	180.035734
ΔH_f, kcal/mol:	-63.19
Dipole, Da:	1.73
IP(EA), eV:	-8.93(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(E)-thiophen-3-ylmethylideneamino]oxypropanenitrile

Drug info:

PubChemData

Smile

CCOC(=O)CCO/N=C/C1=CSC=C1

DOS

IR

Vibrations