Geometry & MOs

Info

ID:	255248
PubChem CID:	103130897
Reduced:	SN3C9H17 (1)
Stoich.:	AB3C9D17 (1)
Weight, g/mol:	227.145619
ΔH_f, kcal/mol:	21.89
Dipole, Da:	3.58
IP(EA), eV:	-8.39(0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-tert-butylsulfanyl-N-methyl-1-(1-methylpyrazol-3-yl)ethanamine

Drug info:

PubChemData

Smile

CC(C)SCC(C1=NN(C=C1)C)N

DOS

IR

Vibrations