Geometry & MOs

Info

ID:	138078
PubChem CID:	52308546
Reduced:	FSN5O5H14C17 (1)
Stoich.:	ABC5D5E14F17 (1)
Weight, g/mol:	271.120843
ΔH_f, kcal/mol:	-74.43
Dipole, Da:	12.52
IP(EA), eV:	-10.24(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[[(2,4-dimethoxyphenyl)methylamino]methylidene]cyclohexa-2,4-dien-1-one

Drug info:

PubChemData

Smile

CC1=NC(=NN1C2=CC=C(C=C2)F)C(=O)NS(=O)(=O)CC3=CC=C(C=C3)[N+](=O)[O-]

DOS

IR

Vibrations