Geometry & MOs

Info

ID:	276839
PubChem CID:	103825435
Reduced:	ClN3O4C10H12 (1)
Stoich.:	AB3C4D10E12 (1)
Weight, g/mol:	248.116092
ΔH_f, kcal/mol:	-73.28
Dipole, Da:	2.45
IP(EA), eV:	-10.51(-2.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-hydroxybutan-2-yl)-2-oxo-1,3-dihydroindole-5-carboxamide

Drug info:

PubChemData

Smile

CC(CCO)NC(=O)C1=CC(=NC=C1[N+](=O)[O-])Cl

DOS

IR

Vibrations