Geometry & MOs

Info

ID:	270868
PubChem CID:	103638472
Reduced:	N2O2F3C10H15 (1)
Stoich.:	A2B2C3D10E15 (1)
Weight, g/mol:	360.01349
ΔH_f, kcal/mol:	-234.47
Dipole, Da:	4.55
IP(EA), eV:	-9.87(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-cyanoethyl)-4-fluoro-2-iodo-N-propan-2-ylbenzamide

Drug info:

PubChemData

Smile

CC(C)N(CCC#N)C(=O)COCC(F)(F)F

DOS

IR

Vibrations