Geometry & MOs

Info

ID:	249364
PubChem CID:	103088955
Reduced:	SN2C13H22 (1)
Stoich.:	AB2C13D22 (1)
Weight, g/mol:	246.21297
ΔH_f, kcal/mol:	1.16
Dipole, Da:	1.39
IP(EA), eV:	-8.23(0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-N-ethyl-2-N-(2-methylbutyl)-5-methylsulfanylpentane-1,2-diamine

Drug info:

PubChemData

Smile

CC1=CC=CC=C1NC(CCCSC)CN

DOS

IR

Vibrations