Geometry & MOs

Info

ID:	83776
PubChem CID:	49861267
Reduced:	ClN2O2C23H25 (1)
Stoich.:	AB2C2D23E25 (1)
Weight, g/mol:	516.229204
ΔH_f, kcal/mol:	-67.97
Dipole, Da:	4.3
IP(EA), eV:	-8.46(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3Z)-N,N-dimethyl-2-oxo-3-[phenyl-[4-(piperidin-1-ylmethyl)anilino]methylidene]-1H-indole-6-carboxamide;hydrochloride

Drug info:

PubChemData

Smile

C1CCC(CC1)C2=C3C4=CC=CC=C4NCCN3C5=C2C=CC(=C5)C(=O)O.Cl

DOS

IR

Vibrations