Geometry & MOs

Info

ID:	176409
PubChem CID:	76045227
Reduced:	FeNP2H35C37 (1)
Stoich.:	ABC2D35E37 (1)
Weight, g/mol:	190.110613
ΔH_f, kcal/mol:	108.69
Dipole, Da:	2.18
IP(EA), eV:	-6.97(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,4-dimethyl-6-pyrazolidin-3-ylidenecyclohexa-2,4-dien-1-one

Drug info:

PubChemData

Smile

CC([C]1[CH][CH][CH][C]1P(C2=CC=CC=C2)C3=CC=CC=C3)N(C)P(C4=CC=CC=C4)C5=CC=CC=C5.[CH]1[CH][CH][CH][CH]1.[Fe]

DOS

IR

Vibrations