Geometry & MOs

Info

ID:	314768
PubChem CID:	126623035
Reduced:	O3N4C21H24 (1)
Stoich.:	A3B4C21D24 (1)
Weight, g/mol:	319.095691
ΔH_f, kcal/mol:	-64.81
Dipole, Da:	5.74
IP(EA), eV:	-8.87(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-acetyl-5-(3-cyanophenyl)indazol-1-yl]acetic acid

Drug info:

PubChemData

Smile

CC1=CC(=CC2=C1N(N=C2C(=O)C)CC(=O)OC(C)(C)C)C3=CN=C(N=C3)C

DOS

IR

Vibrations