Geometry & MOs

Info

ID:	253734
PubChem CID:	103120274
Reduced:	ON2C6H8 (2)
Stoich.:	AB2C6D8 (2)
Weight, g/mol:	261.111341
ΔH_f, kcal/mol:	-26.41
Dipole, Da:	2.65
IP(EA), eV:	-9.32(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-(1-methylindazol-3-yl)methanone

Drug info:

PubChemData

Smile

CC(C)(CN(C)C(=O)C1=C2C=NC=CN2N=C1)O

DOS

IR

Vibrations