Geometry & MOs

Info

ID:	201047
PubChem CID:	79481491
Reduced:	ON3C17H29 (1)
Stoich.:	AB3C17D29 (1)
Weight, g/mol:	228.256549
ΔH_f, kcal/mol:	-62.98
Dipole, Da:	3.24
IP(EA), eV:	-8.18(0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-ethyl-N-methyl-N'-(2-methylbutyl)hexane-1,6-diamine

Drug info:

PubChemData

Smile

CCC(C)CN(CC)CCC(=O)NC1=C(C=CC(=C1)N)C

DOS

IR

Vibrations