Geometry & MOs

Info

ID:	234726
PubChem CID:	92303384
Reduced:	NO7C11H21 (1)
Stoich.:	AB7C11D21 (1)
Weight, g/mol:	376.146617
ΔH_f, kcal/mol:	-346.9
Dipole, Da:	4.29
IP(EA), eV:	-10.23(0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5R)-5-tert-butyl-N-[(E)-(2-chloro-6-fluorophenyl)methylideneamino]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N[C@H]1[C@H]([C@@H]([C@@H](O[C@@H]1O)CO)O)O

DOS

IR

Vibrations