Geometry & MOs

Info

ID:	444484
PubChem CID:	135262601
Reduced:	NO3C11H15 (1)
Stoich.:	AB3C11D15 (1)
Weight, g/mol:	508.279804
ΔH_f, kcal/mol:	-88.31
Dipole, Da:	0.81
IP(EA), eV:	-9.66(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[4-[1-[2-methoxy-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]-5-methylindazol-6-yl]piperidin-1-yl]acetate

Drug info:

PubChemData

Smile

CCC(C(=O)ONCC1=CC=CC=C1)O

DOS

IR

Vibrations