Geometry & MOs

Info

ID:	197488
PubChem CID:	78970250
Reduced:	SO2N3C12H19 (1)
Stoich.:	AB2C3D12E19 (1)
Weight, g/mol:	253.091435
ΔH_f, kcal/mol:	-15.43
Dipole, Da:	5.93
IP(EA), eV:	-9.45(0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(difluoromethoxy)-N-ethyl-N-prop-2-ynylbenzamide

Drug info:

PubChemData

Smile

CCCN(CC#C)S(=O)(=O)C1=C(N(N=C1C)C)C

DOS

IR

Vibrations