Geometry & MOs

Info

ID:	125901
PubChem CID:	50943200
Reduced:	O2N7C24H27 (1)
Stoich.:	A2B7C24D27 (1)
Weight, g/mol:	414.180424
ΔH_f, kcal/mol:	15.54
Dipole, Da:	3.03
IP(EA), eV:	-8.45(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[3-(2-pyridin-2-ylethylcarbamoylamino)-1H-indazol-6-yl]phenyl]acetamide

Drug info:

PubChemData

Smile

C1C[C@H](C[C@@H]1NC2=NC=CC(=N2)N3C=CC4=C3C=CC=C4N5CCN(CC5)C(=O)CC#N)O

DOS

IR

Vibrations