Geometry & MOs

Info

ID:	170806
PubChem CID:	75282427
Reduced:	OF3N5C26H36 (1)
Stoich.:	AB3C5D26E36 (1)
Weight, g/mol:	446.12019
ΔH_f, kcal/mol:	-155.04
Dipole, Da:	3.98
IP(EA), eV:	-8.42(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3-cyanophenyl)methyl]-2,6-dioxo-N-[[2-(trifluoromethoxy)phenyl]methyl]-1,3-diazinane-4-carboxamide

Drug info:

PubChemData

Smile

C1CC1CC2(CCN(C2)CC3CCC4C(C3)CNN4)C(=O)N5CCC6=C(C5)C=C(C=N6)C(F)(F)F

DOS

IR

Vibrations