Geometry & MOs

Info

ID:	17264
PubChem CID:	490699
Reduced:	N5C20H43 (1)
Stoich.:	A5B20C43 (1)
Weight, g/mol:	353.351846
ΔH_f, kcal/mol:	-0.46
Dipole, Da:	3.22
IP(EA), eV:	-8.67(1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-N'-[4-[4-[4-(ethylamino)but-2-enylamino]but-2-enylamino]butyl]butane-1,4-diamine

Drug info:

PubChemData

Smile

CCNCCCCNCCCCNCC=CCNCC=CCNCC

DOS

IR

Vibrations