Geometry & MOs

Info

ID:	183237
PubChem CID:	76995711
Reduced:	ClON2C13H17 (1)
Stoich.:	ABC2D13E17 (1)
Weight, g/mol:	276.023247
ΔH_f, kcal/mol:	-42.95
Dipole, Da:	3.82
IP(EA), eV:	-9.59(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-chloro-4-fluorophenyl)-6-(chloromethyl)-1,3-diazinan-4-one

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)C2NC(CC(=O)N2)CCl

DOS

IR

Vibrations