Geometry & MOs

Info

ID:	30581
PubChem CID:	841534
Reduced:	NOC8H9 (2)
Stoich.:	ABC8D9 (2)
Weight, g/mol:	272.09094
ΔH_f, kcal/mol:	-41.08
Dipole, Da:	4.59
IP(EA), eV:	-9.14(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,3-dihydroindol-1-yl)-2-(4-nitropyrazol-1-yl)ethanone

Drug info:

PubChemData

Smile

CC(C)OC1=CC=C(C=C1)C(=O)NCC2=CN=CC=C2

DOS

IR

Vibrations