Geometry & MOs

Info

ID:	249162
PubChem CID:	103087304
Reduced:	SN3C16H25 (1)
Stoich.:	AB3C16D25 (1)
Weight, g/mol:	219.165686
ΔH_f, kcal/mol:	10.16
Dipole, Da:	3.65
IP(EA), eV:	-7.94(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methylsulfanyl-N-(3-propan-2-yloxypropyl)butan-1-amine

Drug info:

PubChemData

Smile

CC(C)(C)C1=NC2=C(N1)C=C(C=C2)NCCCCSC

DOS

IR

Vibrations