Geometry & MOs

Info

ID:	1449
PubChem CID:	4471
Reduced:	O2N4C7H17 (1)
Stoich.:	A2B4C7D17 (1)
Weight, g/mol:	189.135151
ΔH_f, kcal/mol:	-73.03
Dipole, Da:	3.96
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.755561
Charge, e:	1

Chem-info

IUPAC name:

[amino-[(4-amino-4-carboxybutyl)amino]methylidene]-methylazanium

Drug info:

PubChemData

Smile

C[NH+]=C(N)NCCCC(C(=O)O)N

DOS

IR

Vibrations