Geometry & MOs

Info

ID:	247773
PubChem CID:	103073201
Reduced:	NSC9H17 (1)
Stoich.:	ABC9D17 (1)
Weight, g/mol:	170.08777
ΔH_f, kcal/mol:	-2.46
Dipole, Da:	3.16
IP(EA), eV:	-8.8(0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[methyl-[2-(sulfanylmethyl)prop-2-enyl]amino]propanenitrile

Drug info:

PubChemData

Smile

CC1CCCN1CC(=C)CS

DOS

IR

Vibrations