Geometry & MOs

Info

ID:	225941
PubChem CID:	87246453
Reduced:	LiN3C18H41 (1)
Stoich.:	AB3C18D41 (1)
Weight, g/mol:	215.236148
ΔH_f, kcal/mol:	-32.19
Dipole, Da:	3.18
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.750000
Charge, e:	0

Chem-info

IUPAC name:

1-N-octylbutane-1,2,4-triamine

Drug info:

PubChemData

Smile

[Li].C(CCCCN)CCCCNCCCCCCCCCN

DOS

IR

Vibrations