Geometry & MOs

Info

ID:	172473
PubChem CID:	75513055
Reduced:	N5C16H27 (1)
Stoich.:	A5B16C27 (1)
Weight, g/mol:	451.18081
ΔH_f, kcal/mol:	21.1
Dipole, Da:	3.35
IP(EA), eV:	-8.56(1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-[[amino(azepan-1-yl)methylidene]amino]propyl]-N,N-dimethylpyrrolidine-2-carboxamide;hydroiodide

Drug info:

PubChemData

Smile

C1CCCN(CC1)C(=NCCC2=CN3CCCCC3=N2)N

DOS

IR

Vibrations