Geometry & MOs

Info

ID:	318193
PubChem CID:	126649486
Reduced:	N2F3O3H13C19 (1)
Stoich.:	A2B3C3D13E19 (1)
Weight, g/mol:	520.291037
ΔH_f, kcal/mol:	-191.31
Dipole, Da:	3.48
IP(EA), eV:	-9.37(-1.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[5-amino-4-[2-(dimethylamino)ethyl-methylamino]-2-methoxyanilino]-5-methoxypyrimidin-4-yl]-3-propan-2-ylbenzimidazol-2-one

Drug info:

PubChemData

Smile

CN1C2=CC(=CC(=C2C=C1C(F)(F)F)C3=CC(=C(C=C3)C(=O)OC)O)C#N

DOS

IR

Vibrations