Geometry & MOs

Info

ID:	189108
PubChem CID:	77818912
Reduced:	N3C6H11 (2)
Stoich.:	A3B6C11 (2)
Weight, g/mol:	512.154595
ΔH_f, kcal/mol:	43.76
Dipole, Da:	3.5
IP(EA), eV:	-8.8(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-(2-aminoethyl)-N-[(6-chloro-2-oxo-1,3-dihydroindol-3-yl)-(5-fluoro-2-methylphenyl)methyl]-3-(3-chlorophenyl)propanimidamide

Drug info:

PubChemData

Smile

CCNC1C(CNN1)C2=NC(=NC=C2)NC(C)C

DOS

IR

Vibrations