Geometry & MOs

Info

ID:	247171
PubChem CID:	103068434
Reduced:	SN3C10H15 (1)
Stoich.:	AB3C10D15 (1)
Weight, g/mol:	235.089167
ΔH_f, kcal/mol:	47.09
Dipole, Da:	1.81
IP(EA), eV:	-8.62(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-2-(7H-purin-6-ylsulfanylmethyl)prop-2-en-1-amine

Drug info:

PubChemData

Smile

CC1=CN=C(N=C1)SCC(=C)CNC

DOS

IR

Vibrations