Geometry & MOs

Info

ID:	378256
PubChem CID:	134224332
Reduced:	NC15H19 (1)
Stoich.:	AB15C19 (1)
Weight, g/mol:	250.240899
ΔH_f, kcal/mol:	152.91
Dipole, Da:	0.36
IP(EA), eV:	-8.15(0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(9Z)-3-N-butan-2-yldodeca-1,6,9-triene-2,3-diamine

Drug info:

PubChemData

Smile

CCC(=C)NC(CC1=CC#CC=C1)C(=C)C

DOS

IR

Vibrations