Geometry & MOs

Info

ID:	137184
PubChem CID:	52167506
Reduced:	O3N7C13H19 (1)
Stoich.:	A3B7C13D19 (1)
Weight, g/mol:	328.164774
ΔH_f, kcal/mol:	-65.31
Dipole, Da:	6.87
IP(EA), eV:	-8.36(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN1C=C(C(=N1)C(=O)N)NC2=NN(C(=O)N(C2=O)CC)CC

DOS

IR

Vibrations