Geometry & MOs

Info

ID:	235323
PubChem CID:	92309410
Reduced:	ClO2N3C15H18 (1)
Stoich.:	AB2C3D15E18 (1)
Weight, g/mol:	307.108754
ΔH_f, kcal/mol:	-57.52
Dipole, Da:	1.45
IP(EA), eV:	-9.57(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC[C@@H](C)NC(=O)CCC(=O)N1C2=C(C=CC(=C2)Cl)C=N1

DOS

IR

Vibrations