Geometry & MOs

Info

ID:	387419
PubChem CID:	134985307
Reduced:	FeNPO4C11H13 (1)
Stoich.:	ABCD4E11F13 (1)
Weight, g/mol:	197.005672
ΔH_f, kcal/mol:	-83.21
Dipole, Da:	1.6
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.832930
Charge, e:	0

Chem-info

IUPAC name:

[but-3-ynyl(propan-2-yl)amino]phosphanylideneiron

Drug info:

PubChemData

Smile

CC(C)N(CCC#C)P=[Fe].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+]

DOS

IR

Vibrations