Geometry & MOs

Info

ID:	249379
PubChem CID:	103089085
Reduced:	SN2C10H20 (1)
Stoich.:	AB2C10D20 (1)
Weight, g/mol:	214.15037
ΔH_f, kcal/mol:	21.96
Dipole, Da:	3.79
IP(EA), eV:	-8.64(0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methylsulfanyl-2-N-pent-3-ynylpentane-1,2-diamine

Drug info:

PubChemData

Smile

CSCCCC(CN)NCCC#C

DOS

IR

Vibrations