Geometry & MOs

Info

ID:	151502
PubChem CID:	53837735
Reduced:	ClNO2C9H9 (2)
Stoich.:	ABC2D9E9 (2)
Weight, g/mol:	303.137162
ΔH_f, kcal/mol:	-136.26
Dipole, Da:	5.3
IP(EA), eV:	-8.49(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-amino-3-[(3-methylphenyl)methylidene]-1,2-dihydropyrrolo[2,1-b]quinazolin-9-one

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C(=O)NC2=C(C=C(C=C2Cl)N)Cl)OC3CCCO3

DOS

IR

Vibrations