Geometry & MOs

Info

ID:	142131
PubChem CID:	52986788
Reduced:	FON6C18H25 (1)
Stoich.:	ABC6D18E25 (1)
Weight, g/mol:	369.216475
ΔH_f, kcal/mol:	-9.42
Dipole, Da:	4.98
IP(EA), eV:	-8.88(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methyl-N-[2-methyl-2-(3-methylphenyl)propyl]-1-(6-oxodiazinan-3-yl)pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CN(CCCC1CC(NN1)C2=CC=C(C=C2)F)C(=O)CCN3C=NC=N3

DOS

IR

Vibrations