Geometry & MOs

Info

ID:	43803
PubChem CID:	10321811
Reduced:	FNCl2O3H16C24 (1)
Stoich.:	ABC2D3E16F24 (1)
Weight, g/mol:	455.09158
ΔH_f, kcal/mol:	-91.8
Dipole, Da:	1.5
IP(EA), eV:	-9.26(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[5-(2,4-dichlorophenyl)-1-methylpyrazol-4-yl]-N-(3,4-dimethoxyphenyl)pyrimidin-2-amine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)COC(=O)CN2C3=C(C=CC(=C3)F)/C(=C\C4=CC(=C(C=C4)Cl)Cl)/C2=O

DOS

IR

Vibrations