Geometry & MOs

Info

ID:	247784
PubChem CID:	103073243
Reduced:	OSN2C15H22 (1)
Stoich.:	ABC2D15E22 (1)
Weight, g/mol:	181.067369
ΔH_f, kcal/mol:	-1.84
Dipole, Da:	0.67
IP(EA), eV:	-8.08(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[cyanomethyl-[2-(sulfanylmethyl)prop-2-enyl]amino]acetonitrile

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)N2CCN(CC2)CC(=C)CS

DOS

IR

Vibrations