Geometry & MOs

Info

ID:	342683
PubChem CID:	127265843
Reduced:	ClO2N4H7C13 (1)
Stoich.:	AB2C4D7E13 (1)
Weight, g/mol:	284.163711
ΔH_f, kcal/mol:	110.66
Dipole, Da:	8.49
IP(EA), eV:	-10.1(-1.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-5-[(1,3,5-trimethylpyrazol-4-yl)methylamino]-3H-indol-2-one

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1C=CC2=NC(=NC=C2)C#N)[N+](=O)[O-])Cl

DOS

IR

Vibrations