Geometry & MOs

Info

ID:	172242
PubChem CID:	75484301
Reduced:	SO2N3C12H15 (1)
Stoich.:	AB2C3D12E15 (1)
Weight, g/mol:	284.152478
ΔH_f, kcal/mol:	-28.88
Dipole, Da:	6.39
IP(EA), eV:	-9.38(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-cyanocyclobutyl)-2-(cyclopropylmethoxy)-N-methylbenzamide

Drug info:

PubChemData

Smile

CCCN1C=C(C=N1)C(=O)OCC2=CN=C(S2)C

DOS

IR

Vibrations