Geometry & MOs

Info

ID:	185242
PubChem CID:	77275091
Reduced:	ClO2F3N4C20H26 (1)
Stoich.:	AB2C3D4E20F26 (1)
Weight, g/mol:	330.230728
ΔH_f, kcal/mol:	-249.75
Dipole, Da:	3.68
IP(EA), eV:	-8.85(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-butyl-5-(4-cyclohexyloxyphenyl)diazinan-3-one

Drug info:

PubChemData

Smile

CC1CN(C(=O)NC1=O)CCCCN2CCN(CC2)C3=CC(=C(C=C3)Cl)C(F)(F)F

DOS

IR

Vibrations