Geometry & MOs

Info

ID:	48674
PubChem CID:	11110452
Reduced:	ON5C19H21 (1)
Stoich.:	AB5C19D21 (1)
Weight, g/mol:	335.034065
ΔH_f, kcal/mol:	39.45
Dipole, Da:	1.74
IP(EA), eV:	-8.38(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-[5-diazonio-2-(2,4-dichlorophenyl)imidazol-4-ylidene]-pyrrolidin-1-ylmethanolate

Drug info:

PubChemData

Smile

CN1CCC(CC1)C2=CNC3=C2N=C(C=C3)NC(=O)C4=CC=CC=N4

DOS

IR

Vibrations