Geometry & MOs

Info

ID:	255249
PubChem CID:	103130902
Reduced:	SN3C11H21 (1)
Stoich.:	AB3C11D21 (1)
Weight, g/mol:	227.145619
ΔH_f, kcal/mol:	13.84
Dipole, Da:	3.88
IP(EA), eV:	-8.26(0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-butan-2-ylsulfanyl-N-methyl-1-(1-methylpyrazol-3-yl)ethanamine

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations