Geometry & MOs

Info

ID:	444538
PubChem CID:	135262757
Reduced:	BrN2O4H25C26 (1)
Stoich.:	AB2C4D25E26 (1)
Weight, g/mol:	508.279804
ΔH_f, kcal/mol:	-94.55
Dipole, Da:	3.09
IP(EA), eV:	-8.82(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C(C2=CC=C(O2)C)NC(=O)CC3=CC4=C(C=C3)N(C=C4)CCC(=O)O)Br

DOS

IR

Vibrations