Geometry & MOs

Info

ID:	444533
PubChem CID:	135262752
Reduced:	O2N6C27H36 (1)
Stoich.:	A2B6C27D36 (1)
Weight, g/mol:	508.279804
ΔH_f, kcal/mol:	-15.38
Dipole, Da:	3.01
IP(EA), eV:	-8.7(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 4-[1-[6-[(3R)-3-hydroxypyrrolidin-1-yl]-2-methoxypyrimidin-4-yl]-5-methylindazol-6-yl]piperidine-1-carboxylate

Drug info:

PubChemData

Smile

C[C@H]1CN(CCO1)C2=NC(=NC(=C2)N3C4=C(C=C(C(=C4)C5CCN(CC5)C6CCOC6)C)C=N3)C

DOS

IR

Vibrations