Geometry & MOs

Info

ID:	309299
PubChem CID:	126543361
Reduced:	PN3O3H14C15 (2)
Stoich.:	AB3C3D14E15 (2)
Weight, g/mol:	156.162649
ΔH_f, kcal/mol:	87.69
Dipole, Da:	14.37
IP(EA), eV:	-7.66(-1.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

non-8-ene-1,3-diamine

Drug info:

PubChemData

Smile

COC(=O)NCC(=O)PC1=NC=C(N1)C2=CC=C(C=C2)C3=CC4=CC=C(C=CC4=C3)C5=CN=C(N5)PC(=O)CNC(=O)OC

DOS

IR

Vibrations