Geometry & MOs

Info

ID:	378304
PubChem CID:	134224380
Reduced:	F3O3N7C25H26 (1)
Stoich.:	A3B3C7D25E26 (1)
Weight, g/mol:	462.120716
ΔH_f, kcal/mol:	-181.97
Dipole, Da:	9.2
IP(EA), eV:	-8.38(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[[5-chloro-2-[(2-oxo-1H-quinolin-6-yl)amino]pyrimidin-4-yl]amino]phenyl]-N,N-dimethyl-2-oxoacetamide

Drug info:

PubChemData

Smile

CN(C)CC(=O)NC1=CC=C(C=C1)NC2=NC=C(C(=N2)NC3=CC=CC=C3C(=O)C(=O)N(C)C)C(F)(F)F

DOS

IR

Vibrations