Geometry & MOs

Info

ID:	228021
PubChem CID:	87563238
Reduced:	NO2C15H17 (1)
Stoich.:	AB2C15D17 (1)
Weight, g/mol:	425.197551
ΔH_f, kcal/mol:	-6.84
Dipole, Da:	3.62
IP(EA), eV:	-9.26(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(benzylamino)-2-[5-(dimethylcarbamoylamino)-2-fluoroanilino]-1H-pyrimidine-5-carboxamide

Drug info:

PubChemData

Smile

C1CC(C1)CONC(=O)C2=CC=CC3=C2C=CC3

DOS

IR

Vibrations