Geometry & MOs

Info

ID:	170633
PubChem CID:	75261866
Reduced:	O3N4C20H20 (1)
Stoich.:	A3B4C20D20 (1)
Weight, g/mol:	335.19574
ΔH_f, kcal/mol:	-46.9
Dipole, Da:	9.61
IP(EA), eV:	-9.21(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,3-dimethyl-2,6-dioxo-N-[2-(3,4,5-trimethylpyrazol-1-yl)propyl]-1,3-diazinane-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(OC2=CC=CC=C12)C(=O)NCC3CC(=O)NC(N3)C4=CC=CC=N4

DOS

IR

Vibrations