Geometry & MOs

Info

ID:	223529
PubChem CID:	85335183
Reduced:	F3O3N4C19H25 (1)
Stoich.:	A3B3C4D19E25 (1)
Weight, g/mol:	416.091915
ΔH_f, kcal/mol:	-212.72
Dipole, Da:	8.98
IP(EA), eV:	-9.51(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[2-[[2-(2,4-dichlorophenyl)quinazolin-4-yl]amino]ethylamino]pyrazolidin-3-one

Drug info:

PubChemData

Smile

CC(C)CC(C(=O)NCC#N)NC(C1=CC=C(C=C1)C(=O)N(C)OC)C(F)(F)F

DOS

IR

Vibrations