Geometry & MOs

Info

ID:	249152
PubChem CID:	103087243
Reduced:	OSN2C11H24 (1)
Stoich.:	ABC2D11E24 (1)
Weight, g/mol:	216.16602
ΔH_f, kcal/mol:	-75.93
Dipole, Da:	2.16
IP(EA), eV:	-8.57(0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methylsulfanyl-N-(2-pyrrolidin-1-ylethyl)butan-1-amine

Drug info:

PubChemData

Smile

CC(C)C(=O)NCCNCCCCSC

DOS

IR

Vibrations