Geometry & MOs

Info

ID:	444466
PubChem CID:	135262563
Reduced:	O3N6C28H38 (1)
Stoich.:	A3B6C28D38 (1)
Weight, g/mol:	462.274324
ΔH_f, kcal/mol:	-59.87
Dipole, Da:	4.27
IP(EA), eV:	-8.75(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-1-[2-methyl-6-[5-methyl-6-[1-(oxolan-3-yl)piperidin-4-yl]indazol-1-yl]pyrimidin-4-yl]azetidin-3-ol

Drug info:

PubChemData

Smile

CC1COCC1N2CCC(CC2)C3=CC4=C(C=C3C)C=NN4C5=CC(=NC(=N5)C)N6CCO[C@@H](C6)CO

DOS

IR

Vibrations