Geometry & MOs

Info

ID:	308499
PubChem CID:	125333262
Reduced:	NC3H5 (4)
Stoich.:	AB3C5 (4)
Weight, g/mol:	314.149124
ΔH_f, kcal/mol:	53.65
Dipole, Da:	2.73
IP(EA), eV:	-8.72(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN1CCC(=N1)[C@@H](C)NCC2=NC=CC2

DOS

IR

Vibrations