Geometry & MOs

Info

ID:	234717
PubChem CID:	92303370
Reduced:	ON4C20H26 (1)
Stoich.:	AB4C20D26 (1)
Weight, g/mol:	328.189926
ΔH_f, kcal/mol:	27.44
Dipole, Da:	6.03
IP(EA), eV:	-8.71(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)(C)C[C@@H]1CCC2=C(C1)C(=NN2)C(=O)N/N=C/C3=CC=CC=C3

DOS

IR

Vibrations