Geometry & MOs

Info

ID:	167499
PubChem CID:	74836841
Reduced:	O3N4C22H28 (1)
Stoich.:	A3B4C22D28 (1)
Weight, g/mol:	476.222369
ΔH_f, kcal/mol:	-76.33
Dipole, Da:	9.58
IP(EA), eV:	-9.24(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-[4-[(2-fluorophenyl)methoxy]phenyl]-5-oxo-1,2,4-triazinan-6-yl]-N-[(3-methylphenyl)methyl]propanamide

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)C2NC(=O)C(NN2)CCC(=O)NC(C)C3=CC=CC=C3

DOS

IR

Vibrations