Geometry & MOs

Info

ID:	308081
PubChem CID:	125316878
Reduced:	NO7C27H37 (1)
Stoich.:	AB7C27D37 (1)
Weight, g/mol:	318.113506
ΔH_f, kcal/mol:	-307.05
Dipole, Da:	2.23
IP(EA), eV:	-9.69(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3R,4R,5R,6S)-4-(4-chlorophenyl)-6-hydroxy-3,6-dimethyl-3,4,5,7-tetrahydroindazol-5-yl]ethanone

Drug info:

PubChemData

Smile

C[C@]12CCC(=O)C[C@@H]1CC[C@H]3[C@H]2CC[C@@]4([C@@H]3CC[C@H]4OC(=O)CCC(=O)ON5C(=O)CCC5=O)C

DOS

IR

Vibrations