Geometry & MOs

Info

ID:	223655
PubChem CID:	85335376
Reduced:	NO5C29H33 (1)
Stoich.:	AB5C29D33 (1)
Weight, g/mol:	483.240103
ΔH_f, kcal/mol:	-162.28
Dipole, Da:	4.9
IP(EA), eV:	-8.62(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[6-(2-chloroanilino)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-3-yl]-N-(2-morpholin-4-ylethyl)benzamide

Drug info:

PubChemData

Smile

C1CC(C1)CN2CCC34C5C(CCC3(C2CC6=C4C(=C(C=C6)O)O5)O)OC(=O)CC7=CC=CC=C7

DOS

IR

Vibrations