Geometry & MOs

Info

ID:	449385
PubChem CID:	135298187
Reduced:	INOC8H10 (1)
Stoich.:	ABCD8E10 (1)
Weight, g/mol:	594.180061
ΔH_f, kcal/mol:	0.63
Dipole, Da:	4.75
IP(EA), eV:	-9.49(-3.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[5-[(1R)-1-(3,5-dichloropyridin-4-yl)ethoxy]-1-(oxan-2-yl)indazol-3-yl]-N-(oxan-4-yl)benzamide

Drug info:

PubChemData

Smile

CC(C)C1=CC(=NC=C1)OI

DOS

IR

Vibrations