Geometry & MOs

Info

ID:	235317
PubChem CID:	92309400
Reduced:	ClN3O3C16H18 (1)
Stoich.:	AB3C3D16E18 (1)
Weight, g/mol:	335.103669
ΔH_f, kcal/mol:	-91.19
Dipole, Da:	1.74
IP(EA), eV:	-9.52(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(6-chloroindazol-1-yl)-4-oxo-N-[[(2R)-oxolan-2-yl]methyl]butanamide

Drug info:

PubChemData

Smile

C1C[C@H](OC1)CNC(=O)CCC(=O)N2C3=C(C=CC(=C3)Cl)C=N2

DOS

IR

Vibrations