Geometry & MOs

Info

ID:	223738
PubChem CID:	85335503
Reduced:	NO4F8H17C23 (1)
Stoich.:	AB4C8D17E23 (1)
Weight, g/mol:	531.216781
ΔH_f, kcal/mol:	-481.52
Dipole, Da:	2.85
IP(EA), eV:	-9.49(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-[[4-amino-2-(3,4-dichlorophenyl)butanoyl]amino]-2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-3-yl]-4-propylbenzamide

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)ON(CC(C(F)(F)F)O)C2=CC(=CC=C2)OC3=CC(=CC=C3)OC(F)F)C(F)(F)F

DOS

IR

Vibrations