Geometry & MOs

Info

ID:	435424
PubChem CID:	135191441
Reduced:	OSN4C14H14 (1)
Stoich.:	ABC4D14E14 (1)
Weight, g/mol:	396.196154
ΔH_f, kcal/mol:	64.72
Dipole, Da:	4.7
IP(EA), eV:	-8.8(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrol-3-yl]-1-methylpiperidine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=NC(=CC(=N1)OC2=CC=C(C=C2)CSNC)C#N

DOS

IR

Vibrations