Geometry & MOs

Info

ID:	431210
PubChem CID:	135171280
Reduced:	O2N5C21H27 (1)
Stoich.:	A2B5C21D27 (1)
Weight, g/mol:	405.136781
ΔH_f, kcal/mol:	8.4
Dipole, Da:	2.97
IP(EA), eV:	-9.22(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-chloro-6-[(3S,4R)-3-fluoro-4-(1-methylindazol-5-yl)oxypiperidin-1-yl]-5-methylpyrimidin-2-yl]methanol

Drug info:

PubChemData

Smile

CCN([C@H]1CCC[C@H](C1)NCC2=CC(=NO2)C)C(=O)C3=CC4=C(N3)C=CC=N4

DOS

IR

Vibrations