Geometry & MOs

Info

ID:	444619
PubChem CID:	135263031
Reduced:	O3N4C28H28 (1)
Stoich.:	A3B4C28D28 (1)
Weight, g/mol:	482.244167
ΔH_f, kcal/mol:	-51.5
Dipole, Da:	10.41
IP(EA), eV:	-8.96(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[4-[1-[6-(azetidin-1-yl)-2-methoxypyrimidin-4-yl]-5-methylindazol-6-yl]-3-fluoropiperidin-1-yl]acetate

Drug info:

PubChemData

Smile

C1CCN(CC1)C2=CC=CC=C2C(C3=CC=CC=C3)NC(=O)CC4=CC5=C(C=C4)NC(=O)C(=O)N5

DOS

IR

Vibrations