Geometry & MOs

Info

ID:	446606
PubChem CID:	135276337
Reduced:	O4N6C23H34 (1)
Stoich.:	A4B6C23D34 (1)
Weight, g/mol:	506.300539
ΔH_f, kcal/mol:	-122.14
Dipole, Da:	5.91
IP(EA), eV:	-8.2(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)C1=NN=C2N1C3=CC(=C(C=C3N=C2NCCCCNC(=O)OC(C)(C)C)OC)OC

DOS

IR

Vibrations