Geometry & MOs

Info

ID:	125902
PubChem CID:	50943274
Reduced:	O2N6H22C23 (1)
Stoich.:	A2B6C22D23 (1)
Weight, g/mol:	331.14331
ΔH_f, kcal/mol:	14.72
Dipole, Da:	3.79
IP(EA), eV:	-8.62(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[6-(3-cyanophenyl)-1H-indazol-3-yl]pyrrolidine-1-carboxamide

Drug info:

PubChemData

Smile

CC(=O)NC1=CC=CC(=C1)C2=CC3=C(C=C2)C(=NN3)NC(=O)NCCC4=CC=CC=N4

DOS

IR

Vibrations