Geometry & MOs

Info

ID:	130069
PubChem CID:	51074834
Reduced:	ClF3N3O3H9C10 (1)
Stoich.:	AB3C3D3E9F10 (1)
Weight, g/mol:	313.165108
ΔH_f, kcal/mol:	-283.09
Dipole, Da:	5.82
IP(EA), eV:	-9.55(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]-3-ethylbenzimidazol-2-one

Drug info:

PubChemData

Smile

C1=C(C(=O)N(C=C1C(F)(F)F)CCC(=O)NC(=O)N)Cl

DOS

IR

Vibrations