Geometry & MOs

Info

ID:	43686
PubChem CID:	10321647
Reduced:	SiO4C26H48 (1)
Stoich.:	AB4C26D48 (1)
Weight, g/mol:	452.136366
ΔH_f, kcal/mol:	-231.43
Dipole, Da:	2.76
IP(EA), eV:	-8.78(0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-chloro-4-[(1-methyl-3a,7a-dihydroindazol-5-yl)carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide

Drug info:

PubChemData

Smile

CC(C)[Si](C(C)C)(C(C)C)OC(CCCCO)C(=C)C#CCCCOC1CCCCO1

DOS

IR

Vibrations