Geometry & MOs

Info

ID:	234716
PubChem CID:	92303367
Reduced:	O10C15H22 (1)
Stoich.:	A10B15C22 (1)
Weight, g/mol:	338.210661
ΔH_f, kcal/mol:	-438.22
Dipole, Da:	3.09
IP(EA), eV:	-10.23(0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5S)-N-[(E)-benzylideneamino]-5-(2,2-dimethylpropyl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide

Drug info:

PubChemData

Smile

CC(=O)OC[C@@H]1[C@H]([C@@H]([C@@H]2[C@@H](O1)O[C@@](O2)(C)OC)OC(=O)C)OC(=O)C

DOS

IR

Vibrations