Geometry & MOs

Info

ID:	235322
PubChem CID:	92309409
Reduced:	ClO2N3H20C21 (1)
Stoich.:	AB2C3D20E21 (1)
Weight, g/mol:	307.108754
ΔH_f, kcal/mol:	-29.06
Dipole, Da:	2.64
IP(EA), eV:	-9.45(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2R)-butan-2-yl]-4-(6-chloroindazol-1-yl)-4-oxobutanamide

Drug info:

PubChemData

Smile

C1C[C@H](C2=CC=CC=C2C1)NC(=O)CCC(=O)N3C4=C(C=CC(=C4)Cl)C=N3

DOS

IR

Vibrations