Geometry & MOs

Info

ID:	137182
PubChem CID:	52167504
Reduced:	ON3C7H11 (2)
Stoich.:	AB3C7D11 (2)
Weight, g/mol:	320.196074
ΔH_f, kcal/mol:	-40.12
Dipole, Da:	4.04
IP(EA), eV:	-8.65(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,4-diethyl-6-[methyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]-1,2,4-triazine-3,5-dione

Drug info:

PubChemData

Smile

CCN1C(=O)C(=NN(C1=O)CC)NCC2=C(N(N=C2C)C)C

DOS

IR

Vibrations