Geometry & MOs

Info

ID:	36907
PubChem CID:	8014527
Reduced:	NO2C12H18 (2)
Stoich.:	AB2C12D18 (2)
Weight, g/mol:	373.118832
ΔH_f, kcal/mol:	-106.11
Dipole, Da:	2.05
IP(EA), eV:	-8.41(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

(3E)-9-oxo-3-[(4-prop-2-enoxyphenyl)methylidene]-1,2-dihydropyrrolo[2,1-b]quinazoline-6-carboxylate

Drug info:

PubChemData

Smile

C/C=C/C1=CC(=C(C=C1)OC[C@H](C[NH2+]C[C@@H](C2=CC=C(C=C2)OC)[NH+](C)C)O)OC

DOS

IR

Vibrations