Geometry & MOs

Info

ID:	202460
PubChem CID:	79674653
Reduced:	SCl2N2O2C12H12 (1)
Stoich.:	AB2C2D2E12F12 (1)
Weight, g/mol:	221.09644
ΔH_f, kcal/mol:	-59.53
Dipole, Da:	6.11
IP(EA), eV:	-8.51(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-amino-5-fluorophenyl)morpholine-2-carbonitrile

Drug info:

PubChemData

Smile

C1COC(CN1C(=O)C2=C(C=CC=C2Cl)Cl)C(=S)N

DOS

IR

Vibrations