Geometry & MOs

Info

ID:	247768
PubChem CID:	103073194
Reduced:	NOSC15H23 (1)
Stoich.:	ABCD15E23 (1)
Weight, g/mol:	221.123821
ΔH_f, kcal/mol:	-15.3
Dipole, Da:	2.32
IP(EA), eV:	-8.85(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[methyl(2-phenylethyl)amino]methyl]prop-2-ene-1-thiol

Drug info:

PubChemData

Smile

CC(CC1=CC=CC=C1OC)N(C)CC(=C)CS

DOS

IR

Vibrations