Geometry & MOs

Info

ID:	149338
PubChem CID:	53789010
Reduced:	O2N5C26H27 (1)
Stoich.:	A2B5C26D27 (1)
Weight, g/mol:	454.236876
ΔH_f, kcal/mol:	38.92
Dipole, Da:	6.93
IP(EA), eV:	-9.26(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(methylamino)propyl]-N-[4-[[(2-oxo-1H-indol-3-ylidene)-phenylmethyl]amino]phenyl]propanamide

Drug info:

PubChemData

Smile

CCC1=NC=CC(=N1)NC(=O)C(C=NCC(C)C)C2=CC=C(C=C2)OC3=CC=C(C=C3)C#N

DOS

IR

Vibrations