Geometry & MOs

Info

ID:	444471
PubChem CID:	135262570
Reduced:	ON3C18H25 (1)
Stoich.:	AB3C18D25 (1)
Weight, g/mol:	536.311104
ΔH_f, kcal/mol:	-7.35
Dipole, Da:	2.86
IP(EA), eV:	-8.78(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 4-[1-[6-[3-(2-hydroxypropoxy)azetidin-1-yl]-2-methylpyrimidin-4-yl]-5-methylindazol-6-yl]piperidine-1-carboxylate

Drug info:

PubChemData

Smile

CC1COCC1N2CCC(CC2)C3=CC4=C(C=C3C)C=NN4

DOS

IR

Vibrations