Geometry & MOs

Info

ID:	170807
PubChem CID:	75282428
Reduced:	F3N4O4H17C21 (1)
Stoich.:	A3B4C4D17E21 (1)
Weight, g/mol:	329.033397
ΔH_f, kcal/mol:	-253.55
Dipole, Da:	5.32
IP(EA), eV:	-10.01(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1C(NC(=O)N(C1=O)CC2=CC(=CC=C2)C#N)C(=O)NCC3=CC=CC=C3OC(F)(F)F

DOS

IR

Vibrations