Geometry & MOs

Info

ID:	232314
PubChem CID:	87575979
Reduced:	FeH4C6N7 (1)
Stoich.:	AB4C6D7 (1)
Weight, g/mol:	246.205576
ΔH_f, kcal/mol:	166.47
Dipole, Da:	5.17
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.242680
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[1,5-diamino-3-(aminomethyl)pentan-3-yl]carbamate

Drug info:

PubChemData

Smile

[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[NH4+].[Fe+5]

DOS

IR

Vibrations