Geometry & MOs

Info

ID:	235318
PubChem CID:	92309401
Reduced:	ClN3O3C16H18 (1)
Stoich.:	AB3C3D16E18 (1)
Weight, g/mol:	355.108754
ΔH_f, kcal/mol:	-91.85
Dipole, Da:	3.44
IP(EA), eV:	-9.46(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(6-chloroindazol-1-yl)-4-oxo-N-[(1S)-1-phenylethyl]butanamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations