Geometry & MOs

Info

ID:	176796
PubChem CID:	76101152
Reduced:	N2O5C18H18 (1)
Stoich.:	A2B5C18D18 (1)
Weight, g/mol:	475.129884
ΔH_f, kcal/mol:	-150.81
Dipole, Da:	2.51
IP(EA), eV:	-9.52(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[[3-[(4-chlorophenyl)methylidene]-9-oxo-1,2-dihydropyrrolo[2,1-b]quinazolin-6-yl]carbamoyl]cyclohex-3-ene-1-carboxylic acid

Drug info:

PubChemData

Smile

C1C(CN(C1C(=O)O)C(=O)OCC2=CC=CC=C2)OC3=CN=CC=C3

DOS

IR

Vibrations