Geometry & MOs

Info

ID:	379528
PubChem CID:	134440521
Reduced:	F2O2N7C23H23 (1)
Stoich.:	A2B2C7D23E23 (1)
Weight, g/mol:	475.109042
ΔH_f, kcal/mol:	-29.26
Dipole, Da:	5.2
IP(EA), eV:	-8.8(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-chloro-2-[6-[[4-chloro-5-(4-fluorophenyl)-1-methylpyrazol-3-yl]amino]pyrimidin-4-yl]-5-methylpyrazol-3-yl]propan-2-ol

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(N(N=C1C)/C/2=C/C(=N/C3=C(C/C=N2)C(=NN3C)C4=C(C=C(C=C4)F)F)/N)C

DOS

IR

Vibrations