Geometry & MOs

Info

ID:	143596
PubChem CID:	53232641
Reduced:	FN6C20H23 (1)
Stoich.:	AB6C20D23 (1)
Weight, g/mol:	499.271403
ΔH_f, kcal/mol:	70.54
Dipole, Da:	4.64
IP(EA), eV:	-8.75(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(Z)-[5-chloro-1-[3-(dimethylamino)propyl]-2-oxoindol-3-ylidene]methyl]-N-[2-(diethylamino)ethyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)NC2=NC=C(C(=N2)N3C=C(C(=N3)C)CNC4CC4)F)C

DOS

IR

Vibrations