Geometry & MOs

Info

ID:	193392
PubChem CID:	78387827
Reduced:	N3O5H15C16 (1)
Stoich.:	A3B5C15D16 (1)
Weight, g/mol:	197.060742
ΔH_f, kcal/mol:	-83.94
Dipole, Da:	7.75
IP(EA), eV:	-9.37(-2.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-2-ethyl-6-(methylaminomethylidene)cyclohexa-2,4-dien-1-one

Drug info:

PubChemData

Smile

CCOC(=O)C1=NC(=O)C2C=C3C=C(C(=CC3=NC2=N1)OC)OC

DOS

IR

Vibrations