Geometry & MOs

Info

ID:	247173
PubChem CID:	103068445
Reduced:	OSN3C10H17 (1)
Stoich.:	ABC3D10E17 (1)
Weight, g/mol:	251.145619
ΔH_f, kcal/mol:	8.37
Dipole, Da:	3.98
IP(EA), eV:	-8.96(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-tert-butyl-2-[(4-methylpyrimidin-2-yl)sulfanylmethyl]prop-2-en-1-amine

Drug info:

PubChemData

Smile

CCCNCC(=C)CSC1=NN=C(O1)C

DOS

IR

Vibrations