Geometry & MOs

Info

ID:	339556
PubChem CID:	127261546
Reduced:	P2N5C10O12H17 (1)
Stoich.:	A2B5C10D12E17 (1)
Weight, g/mol:	272.221226
ΔH_f, kcal/mol:	-573.78
Dipole, Da:	7.54
IP(EA), eV:	-9.88(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N',N'-bis(3-aminopropyl)heptanediamide

Drug info:

PubChemData

Smile

C1=NC2=C(N1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N(C(NC2=O)N)OP(=O)(O)OP(=O)(O)O

DOS

IR

Vibrations