Geometry & MOs

Info

ID:	308500
PubChem CID:	125333271
Reduced:	O2N6C15H18 (1)
Stoich.:	A2B6C15D18 (1)
Weight, g/mol:	314.149124
ΔH_f, kcal/mol:	17.05
Dipole, Da:	2.78
IP(EA), eV:	-8.56(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-1-methyl-N-[5-[(2S)-oxolan-2-yl]-1H-1,2,4-triazol-3-yl]-2,3-dihydroindazole-3-carboxamide

Drug info:

PubChemData

Smile

CN1C2=CC=CC=C2[C@H](N1)C(=O)NC3=NNC(=N3)[C@H]4CCCO4

DOS

IR

Vibrations