Geometry & MOs

Info

ID:	431117
PubChem CID:	135171187
Reduced:	O2N5C26H27 (1)
Stoich.:	A2B5C26D27 (1)
Weight, g/mol:	312.350449
ΔH_f, kcal/mol:	34.02
Dipole, Da:	2.59
IP(EA), eV:	-9.15(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-(2-methyltridecyl)-N-propylpropane-1,3-diamine

Drug info:

PubChemData

Smile

CCN([C@H]1CCC[C@H](C1)NCC2=C(C3=CC=CC=C3O2)C#N)C(=O)C4=NC5=CC=CC=C5N4

DOS

IR

Vibrations