Geometry & MOs

Info

ID:	340850
PubChem CID:	127263285
Reduced:	ClNO2F3C7H11 (1)
Stoich.:	ABC2D3E7F11 (1)
Weight, g/mol:	246.111676
ΔH_f, kcal/mol:	-291.98
Dipole, Da:	1.98
IP(EA), eV:	-10.12(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl N-[3-cyano-4-(methyliminomethylamino)phenyl]carbamate

Drug info:

PubChemData

Smile

COC(=O)[C@H]1CNC[C@@H]1C(F)(F)F.Cl

DOS

IR

Vibrations