Geometry & MOs

Info

ID:	435237
PubChem CID:	135185864
Reduced:	N2F3O3H9C10 (1)
Stoich.:	A2B3C3D9E10 (1)
Weight, g/mol:	318.129217
ΔH_f, kcal/mol:	-177.2
Dipole, Da:	4.52
IP(EA), eV:	-9.46(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(cyclopropylamino)-4,5-difluorophenyl]-4-ethylpyrimidine-5-carboxamide

Drug info:

PubChemData

Smile

C1CC1NC2=C(C=CC(=C2)OC(F)(F)F)[N+](=O)[O-]

DOS

IR

Vibrations