Geometry & MOs

Info

ID:	235319
PubChem CID:	92309402
Reduced:	ClO2N3H18C19 (1)
Stoich.:	AB2C3D18E19 (1)
Weight, g/mol:	355.108754
ΔH_f, kcal/mol:	-22.88
Dipole, Da:	1.52
IP(EA), eV:	-9.5(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@@H](C1=CC=CC=C1)NC(=O)CCC(=O)N2C3=C(C=CC(=C3)Cl)C=N2

DOS

IR

Vibrations