Geometry & MOs

Info

ID:	223721
PubChem CID:	85335476
Reduced:	ON4F7H21C24 (1)
Stoich.:	AB4C7D21E24 (1)
Weight, g/mol:	522.195317
ΔH_f, kcal/mol:	-333.02
Dipole, Da:	9.77
IP(EA), eV:	-9.68(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CN(C(C2=NC(=CN21)C(F)(F)F)C3=CC(=CC=C3)C(F)(F)F)C(=O)CC(CC4=CC=CC=C4F)N

DOS

IR

Vibrations