Geometry & MOs

Info

ID:	247803
PubChem CID:	103073301
Reduced:	NSC10H21 (1)
Stoich.:	ABC10D21 (1)
Weight, g/mol:	201.118735
ΔH_f, kcal/mol:	-12.71
Dipole, Da:	1.08
IP(EA), eV:	-8.61(0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3-ethylmorpholin-4-yl)methyl]prop-2-ene-1-thiol

Drug info:

PubChemData

Smile

CC(C)C(C)N(C)CC(=C)CS

DOS

IR

Vibrations