Geometry & MOs

Info

ID:	401600
PubChem CID:	135051798
Reduced:	FeP2C16H25 (1)
Stoich.:	AB2C16D25 (1)
Weight, g/mol:	397.140449
ΔH_f, kcal/mol:	18.41
Dipole, Da:	2.92
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.900159
Charge, e:	0

Chem-info

IUPAC name:

diethyl 2-acetamido-2-[(3E)-3-[(2-chlorophenyl)hydrazinylidene]propyl]propanedioate

Drug info:

PubChemData

Smile

CC1=CP(C=C1C)C(C)(C)C.CC1=C([CH]P=C1)C.[Fe]

DOS

IR

Vibrations