Geometry & MOs

Info

ID:	249237
PubChem CID:	103087966
Reduced:	OSN2C11H24 (1)
Stoich.:	ABC2D11E24 (1)
Weight, g/mol:	241.161269
ΔH_f, kcal/mol:	-76.5
Dipole, Da:	4.74
IP(EA), eV:	-8.6(0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-4-methylsulfanylbutan-1-amine

Drug info:

PubChemData

Smile

CCCNC(=O)CCNCCCCSC

DOS

IR

Vibrations