Geometry & MOs

Info

ID:	437027
PubChem CID:	135213839
Reduced:	SO7N8C15H20 (1)
Stoich.:	AB7C8D15E20 (1)
Weight, g/mol:	249.172879
ΔH_f, kcal/mol:	-131.88
Dipole, Da:	11.73
IP(EA), eV:	-9.97(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl 7-(methylamino)heptanoate

Drug info:

PubChemData

Smile

CN1C2=C(C3CN(C2C(=O)N(C)C)C(=O)N3OS(=O)(=O)O)C(=N1)CN4C=C(N=N4)CO

DOS

IR

Vibrations