Geometry & MOs

Info

ID:	324510
PubChem CID:	126677788
Reduced:	IN2O2C7H9 (1)
Stoich.:	AB2C2D7E9 (1)
Weight, g/mol:	428.98217
ΔH_f, kcal/mol:	-21.65
Dipole, Da:	2.63
IP(EA), eV:	-9.48(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3S)-4-(3-iodopyrazol-1-yl)oxolan-3-yl] 4-nitrobenzoate

Drug info:

PubChemData

Smile

C1[C@H](C(CO1)N2C=CC(=N2)I)O

DOS

IR

Vibrations