Geometry & MOs

Info

ID:	444564
PubChem CID:	135262860
Reduced:	NO3C13H13 (1)
Stoich.:	AB3C13D13 (1)
Weight, g/mol:	522.295454
ΔH_f, kcal/mol:	-109.44
Dipole, Da:	4.01
IP(EA), eV:	-9.0(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 4-[1-[6-[(2R)-2-(hydroxymethyl)morpholin-4-yl]-2-methylpyrimidin-4-yl]-5-methylindazol-6-yl]piperidine-1-carboxylate

Drug info:

PubChemData

Smile

CC(=C1C2=C(C=CC(=C2)CC(=O)O)NC1=O)C

DOS

IR

Vibrations