Geometry & MOs

Info

ID:	145079
PubChem CID:	53457270
Reduced:	ClNO2C18H21 (1)
Stoich.:	ABC2D18E21 (1)
Weight, g/mol:	370.132885
ΔH_f, kcal/mol:	-28.53
Dipole, Da:	3.58
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.755337
Charge, e:	0

Chem-info

IUPAC name:

2-phenoxyethyl 4-(3-fluorophenyl)-6-methylidene-2-oxo-1,3-diazinane-5-carboxylate

Drug info:

PubChemData

Smile

C1C[NH+](CC2=CC=CC=C21)CC(COC3=CC=C(C=C3)Cl)O

DOS

IR

Vibrations