Geometry & MOs

Info

ID:	150552
PubChem CID:	53790245
Reduced:	ClNO2H12C13 (2)
Stoich.:	ABC2D12E13 (2)
Weight, g/mol:	189.053826
ΔH_f, kcal/mol:	-101.64
Dipole, Da:	0.81
IP(EA), eV:	-8.71(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-hydroxy-4-(1H-1,3,5-triazin-2-ylidene)cyclohexa-2,5-dien-1-one

Drug info:

PubChemData

Smile

CN(C1=CC=CC(=C1)C(=CCCCC(=O)O)C2=CN=CC=C2)C(=O)COC3=C(C=C(C=C3)Cl)Cl

DOS

IR

Vibrations