Geometry & MOs

Info

ID:	252077
PubChem CID:	103108880
Reduced:	ClN3O3C12H18 (1)
Stoich.:	AB3C3D12E18 (1)
Weight, g/mol:	263.14339
ΔH_f, kcal/mol:	-109.03
Dipole, Da:	2.95
IP(EA), eV:	-10.49(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(5-cyano-2-fluorophenyl)methylamino]-N-ethyl-N-methylpropanamide

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(N(N=N1)C2CCCCC2O)CCl

DOS

IR

Vibrations