Geometry & MOs

Info

ID:	121842
PubChem CID:	50783448
Reduced:	ON4H18C23 (1)
Stoich.:	AB4C18D23 (1)
Weight, g/mol:	444.159769
ΔH_f, kcal/mol:	76.15
Dipole, Da:	2.53
IP(EA), eV:	-8.93(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,4-dimethoxyphenyl)-3-[[6-(3-fluorophenyl)pyrimidin-4-yl]amino]benzamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC(=NC=N2)NC3=CC=C(C=C3)C(=O)NC4=CC=CC=C4

DOS

IR

Vibrations