Geometry & MOs

Info

ID:	174491
PubChem CID:	75772645
Reduced:	ON2C11H12 (2)
Stoich.:	AB2C11D12 (2)
Weight, g/mol:	383.200905
ΔH_f, kcal/mol:	-25.01
Dipole, Da:	5.6
IP(EA), eV:	-9.67(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-fluorophenyl)-3-(6-oxo-2-phenyl-4-propan-2-yl-1,3-diazinan-1-yl)propanamide

Drug info:

PubChemData

Smile

CCC1=CC(=O)N(C(=N1)C2=CC=CC=C2)CCC(=O)NC(C)C3=CN=CC=C3

DOS

IR

Vibrations