Geometry & MOs

Info

ID:	446894
PubChem CID:	135278526
Reduced:	F2O2N7C27H27 (1)
Stoich.:	A2B2C7D27E27 (1)
Weight, g/mol:	452.253589
ΔH_f, kcal/mol:	-20.73
Dipole, Da:	8.36
IP(EA), eV:	-7.7(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[2-methoxy-6-(5-methyl-6-piperidin-4-ylindazol-1-yl)pyrimidin-4-yl]-5-methylmorpholin-2-yl]methanol

Drug info:

PubChemData

Smile

CC1=CC2=C(C(=CC(=C2N1)F)O/C(=C(\C#N)/C(=NC)NC3=CC=C(C=C3)N4CCN(CC4)C(=O)C)/N=C)F

DOS

IR

Vibrations