Geometry & MOs

Info

ID:	449373
PubChem CID:	135298086
Reduced:	ON2C9H18 (1)
Stoich.:	AB2C9D18 (1)
Weight, g/mol:	550.22593
ΔH_f, kcal/mol:	-67.96
Dipole, Da:	4.19
IP(EA), eV:	-9.09(1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[[5-[(Z)-2-[5-[(1R)-1-(3-chloro-5-methylpyridin-4-yl)ethoxy]-2H-indazol-3-yl]-1-fluoroethenyl]pyridin-2-yl]methyl]piperazin-1-yl]ethanol

Drug info:

PubChemData

Smile

C[C@@H](CN1CCCC1)NC(=O)C

DOS

IR

Vibrations