Geometry & MOs

Info

ID:	159578
PubChem CID:	57288485
Reduced:	O2S3N4C16H28 (1)
Stoich.:	A2B3C4D16E28 (1)
Weight, g/mol:	202.215747
ΔH_f, kcal/mol:	-59.41
Dipole, Da:	5.48
IP(EA), eV:	-8.73(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-N-(2-aminoethyl)-5,5-dimethylhexane-1,3,6-triamine

Drug info:

PubChemData

Smile

CCC(C(=NCCSCC1=CSC(=N1)CN2CCCC2)N)S(=O)(=O)C

DOS

IR

Vibrations