Geometry & MOs

Info

ID:	247767
PubChem CID:	103073193
Reduced:	NSC12H21 (1)
Stoich.:	ABC12D21 (1)
Weight, g/mol:	265.150036
ΔH_f, kcal/mol:	-6.98
Dipole, Da:	3.57
IP(EA), eV:	-8.5(0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[1-(2-methoxyphenyl)propan-2-yl-methylamino]methyl]prop-2-ene-1-thiol

Drug info:

PubChemData

Smile

C=C(CN1CCCC2C1CCC2)CS

DOS

IR

Vibrations