Geometry & MOs

Info

ID:	297587
PubChem CID:	117622398
Reduced:	O2N7H27C33 (1)
Stoich.:	A2B7C27D33 (1)
Weight, g/mol:	276.101111
ΔH_f, kcal/mol:	75.52
Dipole, Da:	6.38
IP(EA), eV:	-8.57(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(2-pyridin-2-ylpyrazol-3-yl)-1,3-dihydroindol-2-one

Drug info:

PubChemData

Smile

CC1=C(NC(=C1C(=O)NCC2=NC3=CC=CC=C3N2)C)/C=C\4/C5=C(C=CC(=C5)C6=CN(N=C6)C7=CC=CC=C7)NC4=O

DOS

IR

Vibrations