Geometry & MOs

Info

ID:	429979
PubChem CID:	135170034
Reduced:	FN4C30H33 (1)
Stoich.:	AB4C30D33 (1)
Weight, g/mol:	368.262777
ΔH_f, kcal/mol:	23.92
Dipole, Da:	1.09
IP(EA), eV:	-8.69(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(4-fluorophenyl)phenyl]-1-heptyl-5-methyl-1,3-diazinane

Drug info:

PubChemData

Smile

CC(C)C1=NC(=NC(=N1)C2=CC(=C(N=C2)C3=CC4=CC=CC=C4C(=C3)C5CCCCC5)F)C(C)C

DOS

IR

Vibrations