Geometry & MOs

Info

ID:	48235
PubChem CID:	10538169
Reduced:	BrO2C10H11 (1)
Stoich.:	AB2C10D11 (1)
Weight, g/mol:	243.085521
ΔH_f, kcal/mol:	-68.59
Dipole, Da:	2.39
IP(EA), eV:	-9.7(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrazole-1-carboxamide

Drug info:

PubChemData

Smile

COC(=O)C(CC1=CC=CC=C1)Br

DOS

IR

Vibrations