Geometry & MOs

Info

ID:	58277
PubChem CID:	24434913
Reduced:	ClO2N4H15C17 (1)
Stoich.:	AB2C4D15E17 (1)
Weight, g/mol:	416.23246
ΔH_f, kcal/mol:	34.84
Dipole, Da:	5.01
IP(EA), eV:	-8.68(-1.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(dimethylamino)-N-[(E)-(3-methyl-1-phenyl-5-pyrrolidin-1-ylpyrazol-4-yl)methylideneamino]benzamide

Drug info:

PubChemData

Smile

CN(C)C1=CC=CC(=C1)C(=O)NNC2=C3C=C(C=CC3=NC2=O)Cl

DOS

IR

Vibrations